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diff --git a/CODE/.gitkeep b/CODE/.gitkeep
new file mode 100644
index 0000000..e69de29
diff --git a/CODE/DATASET/generate_dataset.py b/CODE/DATASET/generate_dataset.py
new file mode 100644
index 0000000..5bb0823
--- /dev/null
+++ b/CODE/DATASET/generate_dataset.py
@@ -0,0 +1,150 @@
+# Create LAMMPS files to generate DEM dataset
+# Also creates a batch file to execute to launch all the computation
+
+import numpy as np
+import os
+import pathlib
+ref_path = str(pathlib.Path(__file__).parent.resolve()) + r'\ref_lammps'
+
+# PARAMETERS
+
+# Location of data set
+path = r'C:/Travail/EPFL/Cours/M2/Projet CSE/LAMMPS/Test'
+
+# List of confinement pressures
+P_min = 10e3
+P_max = 210e3
+P_step = 10e3
+conf_Ps = np.arange(P_min,P_max,P_step)
+
+# Initial size of box before confinement
+box_size = 0.10
+
+# Size of each subregion of the box (for particle insertion)
+region_size = 0.0025
+
+# Number of data points per confinement pressure
+dataset_size = 1000
+
+# Maximum deformation of the box
+max_deformation = 0.1
+
+# Random seed
+np.random.seed(42)
+
+def create_lammps_files(path, conf_P, box_size, region_size):
+ """
+ Write LAMMPS files
+ """
+
+ path_p = path + '/P={}Pa'.format(conf_P)
+
+ if not os.path.exists(path_p):
+ os.makedirs(path_p)
+
+ with open(os.path.join(ref_path, 'ref_lammps_generate.txt')) as f:
+ lines_ref = f.readlines()
+
+ ref_part0 = lines_ref[:8]
+ ref_part1 = lines_ref[8:29]
+ ref_part2 = lines_ref[29:40]
+ ref_part3 = lines_ref[40:]
+
+ line_pressure = 'variable confinement_pressure equal {}'.format(conf_P)
+ line_box = 'region reg block 0.0 {size} 0 {size} -0.0005 0.0005 units box'.format(size=box_size)
+
+ nb_regions = int(box_size/region_size)
+ seeds = np.random.randint(1,1000,nb_regions)
+ steps = [region_size*i for i in range(nb_regions+1)]
+
+ region_lines = []
+ group_lines = []
+ fix_lines = []
+ unfix_lines = []
+
+ for i in range(nb_regions):
+ line1 = 'region region_gouge_{} block 0.00 {} '.format(str(i+1),str(box_size))
+ line2 = '{:.4f} {:.4f} -0.0005 0.0005 units box'.format(steps[i],steps[i+1])
+ region_lines.append(line1+line2)
+ line3 = 'group nve_group region region_gouge_{}'.format(str(i+1))
+ group_lines.append(line3)
+ line4 = 'fix ins_{nb} nve_group pour 50000 1 {seed} region region_gouge_{nb} vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5'.format(nb=str(i+1), seed=seeds[i])
+ fix_lines.append(line4)
+ line5 = 'unfix ins_{}'.format(str(i+1))
+ unfix_lines.append(line5)
+
+ with open(path_p + '/1_generate_conf_{}Pa.in'.format(conf_P), 'w') as f:
+ for line in ref_part0:
+ f.write(line)
+ f.write(line_box)
+ f.write('\n')
+ f.write(line_pressure)
+ f.write('\n')
+ for line in ref_part1:
+ f.write(line)
+ for line in region_lines:
+ f.write(line)
+ f.write('\n')
+ f.write('\n')
+ for line in group_lines:
+ f.write(line)
+ f.write('\n')
+ f.write('\n')
+ for line in fix_lines:
+ f.write(line)
+ f.write('\n')
+ f.write('\n')
+ for line in ref_part2:
+ f.write(line)
+ for line in unfix_lines:
+ f.write(line)
+ f.write('\n')
+ f.write('\n')
+ for line in ref_part3:
+ f.write(line)
+
+ with open(os.path.join(ref_path, 'ref_lammps_shear.txt')) as f:
+ lines_shear = f.readlines()
+
+ line_1 = 'read_restart confined.restart \n\n'
+ line_2 = 'variable nb_points equal {} \n'.format(dataset_size)
+ line_3 = 'variable eps_max equal {} \n'.format(max_deformation)
+
+ with open(path_p + '/2_shear.in', 'w') as f:
+ f.write(line_1)
+ f.write(line_2)
+ f.write(line_3)
+ for line in lines_shear:
+ f.write(line)
+
+def prepare_simulation(path, conf_Ps, box_size, region_size):
+ """
+ Write LAMMPS files and batch file to start computation
+ """
+
+ loc = 'cd ' + path + '/P={}Pa'
+ lmmps1 = 'lmp -in 1_generate_conf_{}Pa.in'
+ lmmps2 = 'lmp -in 2_shear.in'
+
+ with open(path + '/start_DEM.bat', 'w') as f:
+
+ for conf_P in conf_Ps:
+
+ conf_P = int(conf_P)
+
+ create_lammps_files(path, conf_P, box_size, region_size)
+
+ f.write(loc.format(conf_P))
+ f.write('\n')
+ f.write(lmmps1.format(conf_P))
+ f.write('\n')
+ f.write(lmmps2)
+ f.write('\n')
+
+# Check if required reference files exist
+for file in ['ref_lammps_generate.txt','ref_lammps_shear.txt']:
+ if not os.path.exists(os.path.join(ref_path, file)):
+ raise Exception(f'Missing reference file: {file}')
+
+# Start file writing
+prepare_simulation(path, conf_Ps, box_size, region_size)
\ No newline at end of file
diff --git a/CODE/DATASET/packing_fraction.py b/CODE/DATASET/packing_fraction.py
new file mode 100644
index 0000000..f83ce05
--- /dev/null
+++ b/CODE/DATASET/packing_fraction.py
@@ -0,0 +1,49 @@
+# Compute packing fraction for each confinement pressure
+
+import matplotlib.pyplot as plt
+import os
+
+path = r'C:/Travail/EPFL/Cours/M2/Projet CSE/LAMMPS/Dataset/'
+
+def pack_fra(path):
+
+ with open(path + '/box_confined.data') as f:
+ lines = f.readlines()
+
+ nb_p = int(lines[2].split()[0])
+
+ xlo = float(lines[5].split()[0])
+ xhi = float(lines[5].split()[1])
+ ylo = float(lines[6].split()[0])
+ yhi = float(lines[6].split()[1])
+ vol = (xhi - xlo)*(yhi - ylo)
+
+ vol_p_tot = 0
+ for line in lines[11:nb_p+11]:
+ radius = float(line.split()[2])/2
+ vol_p = 3.14*(radius)**2
+ vol_p_tot += vol_p
+
+ frac = vol_p_tot / vol
+ return frac
+
+subfolds = [x[0] for x in os.walk(path)][1:]
+
+plt.figure(figsize=(8,6))
+
+values = {}
+
+pressures = []
+fractions = []
+
+for current_path in subfolds:
+ pressures.append(int(current_path.split('/')[-1][2:-2])/1000)
+ fractions.append(pack_fra(current_path))
+
+print(pressures)
+print(fractions)
+
+plt.plot(pressures,fractions,'.')
+plt.xlabel('Confinement pressure [kPa]')
+plt.ylabel('Packing density')
+plt.show()
\ No newline at end of file
diff --git a/CODE/DATASET/plot_dataset.py b/CODE/DATASET/plot_dataset.py
new file mode 100644
index 0000000..1013f61
--- /dev/null
+++ b/CODE/DATASET/plot_dataset.py
@@ -0,0 +1,75 @@
+# Plot the dataset from a pickle file
+
+import pandas as pd
+import numpy as np
+import matplotlib.pyplot as plt
+from matplotlib.collections import LineCollection
+
+# Location of the dataset
+path = r'C:/Travail/EPFL/Cours/M2/Projet CSE/LAMMPS/Dataset/'
+
+def multiline(xs, ys, c, ax=None, **kwargs):
+ """
+ Plot lines with different colorings
+
+ Parameters
+ ----------
+ xs : iterable container of x coordinates
+ ys : iterable container of y coordinates
+ c : iterable container of numbers mapped to colormap
+ ax (optional): Axes to plot on.
+ kwargs (optional): passed to LineCollection
+
+ Notes:
+ len(xs) == len(ys) == len(c) is the number of line segments
+ len(xs[i]) == len(ys[i]) is the number of points for each line (indexed by i)
+
+ Returns
+ -------
+ lc : LineCollection instance.
+ """
+
+ # find axes
+ ax = plt.gca() if ax is None else ax
+
+ # create LineCollection
+ segments = [np.column_stack([x, y]) for x, y in zip(xs, ys)]
+ lc = LineCollection(segments, **kwargs)
+
+ # set coloring of line segments
+ # Note: I get an error if I pass c as a list here... not sure why.
+ lc.set_array(np.asarray(c))
+
+ # add lines to axes and rescale
+ # Note: adding a collection doesn't autoscalee xlim/ylim
+ ax.add_collection(lc)
+ ax.autoscale()
+ return lc
+
+df = pd.read_pickle(path + 'dataset')
+col = df.columns
+dataset = {}
+for i in range(int(len(col)/2)):
+ Pressure = int(col[2*i].split()[1][2:-2])
+ Strain = df[col[2*i]].dropna()
+ Stress = df[col[2*i+1]].dropna()
+ dataset[Pressure] = np.array([[e,s] for e,s in zip(Strain,Stress)])
+
+pressures = [p for p in dataset.keys()]
+pressures.sort()
+pressures_kPa = [int(p/1e3) for p in dataset.keys()]
+pressures_kPa.sort()
+
+n_lines = len(pressures)
+xs = np.array([dataset[p][:,0] for p in pressures],dtype=object)
+ys = np.array([dataset[p][:,1]/1e6 for p in pressures],dtype=object)
+colors = np.arange(n_lines)
+fig, ax = plt.subplots()
+lc = multiline(xs, ys, pressures_kPa, cmap='bwr', lw=2)
+axcb = fig.colorbar(lc)
+axcb.set_label('Confinement pressure [kPa]')
+ax.set_title('Constitutive law')
+ax.set_xlabel('Strain')
+ax.set_ylabel('Stress [MPa]')
+plt.savefig(path + 'constitutive.pdf')
+plt.show()
\ No newline at end of file
diff --git a/CODE/DATASET/ref_lammps/ref_lammps_generate.txt b/CODE/DATASET/ref_lammps/ref_lammps_generate.txt
new file mode 100644
index 0000000..2f68f76
--- /dev/null
+++ b/CODE/DATASET/ref_lammps/ref_lammps_generate.txt
@@ -0,0 +1,99 @@
+atom_style sphere
+atom_modify map array
+dimension 2
+boundary p p p
+newton off
+comm_modify vel yes
+units si
+
+
+# How many grain/atom types
+create_box 6 reg
+
+# Size of bins for more efficiently searching for grain contacts.
+neighbor 0.001 bin
+
+# Reconstruct the neighbor list without any delay, every time-step
+neigh_modify delay 0
+
+# Glass marbles, tangential force
+pair_style gran/hertz/history 36630036630.0 0.0 0.2 NULL 0.0 0
+
+pair_coeff * *
+
+timestep 1e-8
+
+fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
+
+# Particle insertion in regions
+
+run 1
+
+set group nve_group density/disc 2.5
+fix integr nve_group nve/sphere disc
+fix makeit2d all enforce2d
+
+thermo 1
+thermo_modify lost ignore norm no
+
+# Unfix particle insertion
+
+run 100 upto
+
+# Set gouge layer grain density
+set group all density/disc 2.5
+
+# Apply NVE integration to all particles
+fix integr all nve/sphere disc
+
+# Output settings
+compute 1 all erotate/sphere
+compute 2 all contact/atom
+compute 3 all ke
+
+variable Sxx equal pxx
+variable Syy equal pyy
+variable TotalPressure equal (v_Sxx+v_Syy)/2.0
+
+thermo_style custom step atoms ke pxx pyy v_TotalPressure ly
+thermo 50000
+thermo_modify lost ignore norm no
+
+set group all density/disc 2.5
+
+# Stop the confining pressure once the pressure is superior to the desired pressure
+fix condition all halt 1 v_Syy > ${confinement_pressure} error continue
+fix def all deform 1 x erate -50 y erate -50 z erate 0
+
+run 1500000
+unfix def
+unfix condition
+
+run 10000
+
+# Check if the pressure does not decrease
+label loopa
+variable a loop 1000
+ label loopb
+ variable P equal pyy
+ variable b loop 1000
+ if "${P} > ${confinement_pressure}" then "jump SELF break"
+ fix def all deform 1 x erate -10 y erate -10 z erate 0
+ run 1000
+ unfix def
+ run 10000
+ next b
+ jump SELF loopb
+ label break
+ variable b delete
+if "${P} > ${confinement_pressure}" then "jump SELF break2"
+next a
+jump SELF loopa
+label break2
+print "Over"
+
+restart 1000000 confined.restart confined2.restart
+
+run 1000000
+
+write_data box_confined.data
\ No newline at end of file
diff --git a/CODE/DATASET/ref_lammps/ref_lammps_shear.txt b/CODE/DATASET/ref_lammps/ref_lammps_shear.txt
new file mode 100644
index 0000000..d2657ab
--- /dev/null
+++ b/CODE/DATASET/ref_lammps/ref_lammps_shear.txt
@@ -0,0 +1,32 @@
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+
+fix 2 all deform 1 xy erate ${rate}
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+
+write_data box_sheared.data
+
diff --git a/CODE/DATASET/save_dataset.py b/CODE/DATASET/save_dataset.py
new file mode 100644
index 0000000..e01f851
--- /dev/null
+++ b/CODE/DATASET/save_dataset.py
@@ -0,0 +1,40 @@
+# From a txt file generated by LAMMPS, create the dataset stored as a dataframe in a pickle file
+
+import numpy as np
+import matplotlib.pyplot as plt
+import os
+import pandas as pd
+
+move = True # move all points such that the first one is (0,0)
+
+dataset_dir = r'C:/Travail/EPFL/Cours/M2/Projet CSE/LAMMPS/Dataset/'
+
+subfolds = [x[0] for x in os.walk(dataset_dir)][1:]
+
+plt.figure(figsize=(8,6))
+
+values = {}
+
+for path in subfolds:
+ pressure = path.split('/')[-1]
+ press_value = float(pressure[2:-2])
+ with open(path + '/StrainStress.txt') as f:
+ lines = f.readlines()
+ if move:
+ stress_0 = -float(lines[1].split()[1])
+ strain_0 = float(lines[1].split()[0])
+ else:
+ stress_0 = 0.0
+ strain_0 = 0.0
+ Strain_pos = np.array([float(line.split()[0]) - strain_0 for line in lines[1:]])
+ Stress_pos = np.array([-float(line.split()[1]) - stress_0 for line in lines[1:]])
+ Strain = np.concatenate((np.flip(-Strain_pos)[:-1],Strain_pos))
+ Stress = np.concatenate((np.flip(-Stress_pos)[:-1],Stress_pos))
+ plt.plot(Strain, Stress, '.', label=pressure)
+ values['Strain ' + pressure] = Strain
+ values['Stress ' + pressure] = Stress
+
+df = pd.DataFrame(dict([ (k,pd.Series(v)) for k,v in values.items() ]))
+df.to_pickle(dataset_dir + 'dataset')
+
+# TO READ DATASET: pd.read_pickle(path + 'dataset')
\ No newline at end of file
diff --git a/CODE/DDM/ddm_wave_prop.py b/CODE/DDM/ddm_wave_prop.py
new file mode 100644
index 0000000..c6d9564
--- /dev/null
+++ b/CODE/DDM/ddm_wave_prop.py
@@ -0,0 +1,544 @@
+import numpy as np
+import matplotlib.pyplot as plt
+import random
+import imageio # to create gif
+import pandas as pd
+
+# MAIN COMPUTATION
+
+# Fixed node at the top
+def wave_propagation_old(dataset, Nnodes, E, A, L, displacement, Ttime, dt):
+ """
+ INPUT
+ dataset = array of points [epsilon,sigma]
+ Nnodes = number of nodes in the 1D mesh
+ E = Young modulus
+ A = beam section
+ L = beam length
+ displacement = imposed displacement at bottom node 0 (function of time)
+ Ttime = total time of simulation
+ dt = time step for simumation
+ OUTPUT
+ coords = nodes coordinates
+ all_displacements = nodes displacements at each timestep
+ KE_list = kinetic energy at each timestep
+ SE_list = strain energy at each timestep
+ TE_list = total energy at each timestep
+ """
+
+ # Dataset properties
+ Ndata = dataset.shape[0]
+
+ # Distance function
+ Ce = 1
+ We = lambda x : 0.5*Ce*x**2
+ We_s = lambda x : 0.5/Ce*x**2
+ def F_cost(epsis, sigmas, weights):
+ return np.multiply(weights, We(epsis)+We_s(sigmas))
+
+ # Geometry
+ coords = L*np.arange(Nnodes)
+ Nel = Nnodes - 1
+
+ # Time parameters
+ Nt = int(Ttime/dt)
+ beta = 0.25
+ gamma = 0.5
+
+ # Generate matrices
+ M, Ktot = compute_M_K(Nnodes, E, A, L)
+ B, weights = compute_B_weights_old(Nnodes, coords)
+ Keq = compute_Keq(Ce, B, weights)
+
+ # Apply boundary conditions
+ Nfree = Nnodes - 2
+ F_free = np.zeros(Nfree)
+ Keq_free = Keq[1:-1,1:-1]
+ M_free = M[1:-1,1:-1]
+ B_free = B[:,1:-1]
+ BigMat = compute_BigMat(Keq_free, M_free, beta, dt)
+ virtual_force = np.hstack((Keq[1:-1,0],M[1:-1,0]/(beta*dt**2)))
+
+ # Pick initial guess
+ random.seed(42)
+ guess_list = [random.randint(0,Ndata-1) for _ in range(Nel)]
+ initial_guess = dataset[guess_list,:]
+
+ # Initialize displacement, velocity and acceleration vectors
+ u, v, a = np.zeros(Nnodes), np.zeros(Nnodes), np.zeros(Nnodes)
+ eta = np.zeros(Nnodes)
+ converged = False
+ all_displacements = np.zeros(Nnodes)
+ guess = initial_guess
+
+ # Energy (for plotting only)
+ KE_list = []
+ SE_list = []
+ TE_list = []
+
+ for k in range(Nt): # Loop for time integration
+ u_previous, v_previous , a_previous = u.copy(), v.copy(), a.copy()
+
+ # Predictor step
+ u_pred = u_previous + dt*v_previous + (0.5-beta)*dt**2*a_previous
+ v_pred = v_previous + (1-gamma)*dt*a_previous
+
+ # Solving corrector step with fixed point:
+ for i in range(100): # Loop for fixed point
+
+ # Imposed displacement
+ disp = displacement(k*dt)
+
+ rhs_up = Ce*np.einsum('e,e,ei->i',weights,guess[:,0],B_free)
+ rhs_down = F_free.ravel() - np.einsum('e,e,ei->i',weights,guess[:,1],B_free) + M_free.dot(u_pred[1:-1])/(beta*dt**2)
+ rhs = np.vstack((rhs_up.reshape((-1,1)), rhs_down.reshape((-1,1)))).ravel() - disp*virtual_force
+
+ u_eta = np.linalg.solve(BigMat, rhs)
+
+ u[1:-1]=u_eta[:Nfree]
+ u[0] = disp
+ eta[1:-1] = u_eta[Nfree:]
+
+ epsi_comp = B.dot(u)
+ sigma_comp = guess[:,1] + Ce*B.dot(eta)
+ closest = find_closest(epsi_comp, sigma_comp, weights, dataset, F_cost)
+
+ if closest == guess_list:
+ converged = True
+ break
+ guess_list=closest
+ guess=dataset[guess_list,:]
+
+ if converged:
+ all_displacements = np.vstack([all_displacements,u])
+ a = (u-u_pred)/(beta*dt**2)
+ v = v_pred+gamma*dt*a
+ KE = v.T @ M @ v
+ SE = u.T @ Ktot @ u
+ KE_list.append(KE)
+ SE_list.append(SE)
+ TE_list.append(KE+SE)
+ else: break
+
+ print('DD computation finished')
+
+ return coords, all_displacements, KE_list, SE_list, TE_list
+
+# Free node at the top
+def wave_propagation(dataset, Nnodes, E, A, L, displacement, Ttime, dt):
+ """
+ INPUT
+ dataset = array of points [epsilon,sigma]
+ Nnodes = number of nodes in the 1D mesh
+ E = Young modulus
+ A = beam section
+ L = beam length
+ displacement = imposed displacement at bottom node 0 (function of time)
+ Ttime = total time of simulation
+ dt = time step for simumation
+ OUTPUT
+ coords = nodes coordinates
+ all_displacements = nodes displacements at each timestep
+ KE_list = kinetic energy at each timestep
+ SE_list = strain energy at each timestep
+ TE_list = total energy at each timestep
+ """
+
+ # Dataset properties
+ Ndata = dataset.shape[0]
+
+ # Distance function
+ Ce = 1
+ We = lambda x : 0.5*Ce*x**2
+ We_s = lambda x : 0.5/Ce*x**2
+ def F_cost(epsis, sigmas, weights):
+ return np.multiply(weights, We(epsis)+We_s(sigmas))
+
+ # Geometry
+ coords = L*np.arange(Nnodes)
+ Nel = Nnodes - 1
+
+ # Time parameters
+ Nt = int(Ttime/dt)
+ beta = 0.25
+ gamma = 0.5
+
+ # Generate matrices
+ M, Ktot = compute_M_K(Nnodes, E, A, L) # Ktot only used for energy verification
+ B, weights = compute_B_weights_old(Nnodes, coords)
+ Keq = compute_Keq(Ce, B, weights)
+
+ # Apply boundary conditions
+ Nfree = Nnodes - 1
+ F_free = np.zeros(Nfree)
+ Keq_free = Keq[1:,1:]
+ M_free = M[1:,1:]
+ B_free = B[:,1:]
+ BigMat = compute_BigMat(Keq_free, M_free, beta, dt)
+ virtual_force = np.hstack((Keq[1:,0],M[1:,0]/(beta*dt**2)))
+
+ # Pick initial guess
+ random.seed(42)
+ guess_list = [random.randint(0,Ndata-1) for _ in range(Nel)]
+ initial_guess = dataset[guess_list,:]
+
+ # Initialize displacement, velocity and acceleration vectors
+ u, v, a = np.zeros(Nnodes), np.zeros(Nnodes), np.zeros(Nnodes)
+ eta = np.zeros(Nnodes)
+ converged = False
+ all_displacements = np.zeros(Nnodes)
+ guess = initial_guess
+
+ # Energy (for plotting only)
+ KE_list = []
+ SE_list = []
+ TE_list = []
+
+ for k in range(Nt): # Loop for time integration
+ u_previous, v_previous , a_previous = u.copy(), v.copy(), a.copy()
+
+ # Predictor step
+ u_pred = u_previous + dt*v_previous + (0.5-beta)*dt**2*a_previous
+ v_pred = v_previous + (1-gamma)*dt*a_previous
+
+ # Solving corrector step with fixed point:
+ for i in range(100): # Loop for fixed point
+
+ # Imposed displacement
+ disp = displacement(k*dt)
+
+ rhs_up = Ce*np.einsum('e,e,ei->i',weights,guess[:,0],B_free)
+ rhs_down = F_free.ravel() - np.einsum('e,e,ei->i',weights,guess[:,1],B_free) + M_free.dot(u_pred[1:])/(beta*dt**2)
+ rhs = np.vstack((rhs_up.reshape((-1,1)), rhs_down.reshape((-1,1)))).ravel() - disp*virtual_force
+
+ u_eta = np.linalg.solve(BigMat, rhs)
+
+ u[1:]=u_eta[:Nfree]
+ u[0] = disp
+ eta[1:] = u_eta[Nfree:]
+
+ epsi_comp = B.dot(u)
+ sigma_comp = guess[:,1] + Ce*B.dot(eta)
+ closest = find_closest(epsi_comp, sigma_comp, weights, dataset, F_cost)
+
+ if closest == guess_list:
+ converged = True
+ break
+ guess_list=closest
+ guess=dataset[guess_list,:]
+
+ if converged:
+ all_displacements = np.vstack([all_displacements,u])
+ a = (u-u_pred)/(beta*dt**2)
+ v = v_pred+gamma*dt*a
+ KE = v.T @ M @ v
+ SE = u.T @ Ktot @ u
+ KE_list.append(KE)
+ SE_list.append(SE)
+ TE_list.append(KE+SE)
+ else: break
+
+ print('DD computation finished')
+
+ return coords, all_displacements, KE_list, SE_list, TE_list
+
+# Free node at the top, confinement pressure
+def wave_propagation_pressure(dataset, E, A, L, displacement, Ttime, dt, rho=1):
+ """
+ INPUT
+ dataset = array of points [epsilon,sigma]
+ Nnodes = number of nodes in the 1D mesh
+ E = Young modulus
+ A = beam section
+ L = beam length
+ displacement = imposed displacement at bottom node 0 (function of time)
+ Ttime = total time of simulation
+ dt = time step for simumation
+ OUTPUT
+ coords = nodes coordinates
+ all_displacements = nodes displacements at each timestep
+ KE_list = kinetic energy at each timestep
+ SE_list = strain energy at each timestep
+ TE_list = total energy at each timestep
+ """
+
+ # Dataset properties
+ pressures = [p for p in dataset.keys()]
+ pressures.sort(reverse=True) # all pressures from largest to smallest
+ Nel = len(pressures)
+ Nnodes = Nel + 1
+
+ # Distance function
+ Ce = E
+ We = lambda x : 0.5*Ce*x**2
+ We_s = lambda x : 0.5/Ce*x**2
+ def F_cost(epsis, sigmas, weights):
+ return np.multiply(weights, We(epsis)+We_s(sigmas))
+
+ # Geometry
+ coords = L*np.arange(Nnodes)
+
+ # Time parameters
+ Nt = int(Ttime/dt)
+ beta = 0.25
+ gamma = 0.5
+
+ # Generate matrices
+ M, Ktot = compute_M_K(Nnodes, E, A, L, rho) # Ktot only used for energy verification
+ B, weights = compute_B_weights(Nnodes, A, L)
+ Keq = compute_Keq(Ce, B, weights)
+
+ # Apply boundary conditions
+ Nfree = Nnodes - 1
+ F_free = np.zeros(Nfree)
+ Keq_free = Keq[1:,1:]
+ M_free = M[1:,1:]
+ B_free = B[:,1:]
+ BigMat = compute_BigMat(Keq_free, M_free, beta, dt)
+ virtual_force = np.hstack((Keq[1:,0],M[1:,0]/(beta*dt**2)))
+
+ # Pick initial guess
+ initial_guess = np.zeros((Nel,2))
+ guess_indices = np.zeros(Nel,dtype=int)
+ for i, p in enumerate(pressures):
+ Ndata = dataset[p].shape[0]
+ guess_index = random.randint(0,Ndata-1)
+ guess_indices[i] = guess_index
+ initial_guess[i,:] = dataset[p][guess_index,:]
+
+ # Initialize displacement, velocity and acceleration vectors
+ u, v, a = np.zeros(Nnodes), np.zeros(Nnodes), np.zeros(Nnodes)
+ eta = np.zeros(Nnodes)
+ converged = False
+ all_displacements = np.zeros(Nnodes)
+ guess = initial_guess
+ guess_indices_old = np.copy(guess_indices)
+
+ # Energy (for plotting only)
+ KE_list = []
+ SE_list = []
+ TE_list = []
+
+ for k in range(Nt): # Loop for time integration
+ converged = False # NEW BUT NECESSARY
+
+ u_previous, v_previous , a_previous = u.copy(), v.copy(), a.copy()
+
+ # Predictor step
+ u_pred = u_previous + dt*v_previous + (0.5-beta)*dt**2*a_previous
+ v_pred = v_previous + (1-gamma)*dt*a_previous
+
+ # Solving corrector step with fixed point:
+ for i in range(100): # Loop for fixed point
+
+ # Imposed displacement
+ disp = displacement(k*dt)
+
+ rhs_up = Ce*np.einsum('e,e,ei->i',weights,guess[:,0],B_free)
+ rhs_down = F_free.ravel() - np.einsum('e,e,ei->i',weights,guess[:,1],B_free) + M_free.dot(u_pred[1:])/(beta*dt**2)
+ rhs = np.vstack((rhs_up.reshape((-1,1)), rhs_down.reshape((-1,1)))).ravel() - disp*virtual_force
+
+ u_eta = np.linalg.solve(BigMat, rhs)
+
+ u[1:]=u_eta[:Nfree]
+ u[0] = disp
+ eta[1:] = u_eta[Nfree:]
+
+ epsi_comp = B.dot(u)
+ sigma_comp = guess[:,1] + Ce*B.dot(eta)
+
+ for j, p in enumerate(pressures):
+ closest_index = find_closest(epsi_comp[j], sigma_comp[j], weights[j], dataset[p], F_cost)
+ guess_indices[j] = closest_index
+
+ if (guess_indices_old == guess_indices).all():
+ converged = True
+ break
+ guess_indices_old = np.copy(guess_indices)
+ for j, p in enumerate(pressures):
+ guess[j] = dataset[p][guess_indices[j],:]
+
+ if converged:
+ all_displacements = np.vstack([all_displacements,u])
+ a = (u-u_pred)/(beta*dt**2)
+ v = v_pred+gamma*dt*a
+ KE = v.T @ M @ v
+ SE = u.T @ Ktot @ u
+ KE_list.append(KE)
+ SE_list.append(SE)
+ TE_list.append(KE+SE)
+ else:
+ print('Convergence failed!')
+ break
+
+ print('DD computation finished')
+
+ return coords, all_displacements, KE_list, SE_list, TE_list
+
+# LOAD DATASET
+
+def load_dataset(path):
+ """
+ From pickle file, load dataset in the form of a dictionnary (key = confinement pressure)
+ """
+ df = pd.read_pickle(path + 'dataset')
+ col = df.columns
+ dataset = {}
+ for i in range(int(len(col)/2)):
+ Pressure = int(col[2*i].split()[1][2:-2])
+ Strain = df[col[2*i]].dropna()
+ Stress = df[col[2*i+1]].dropna()
+ dataset[Pressure] = np.array([[e,s] for e,s in zip(Strain,Stress)])
+ return dataset
+
+# PLOTS
+
+def plot_energy(KE, SE, TE, N0=0):
+ plt.figure()
+ plt.plot(KE, label='Kinetic energy')
+ plt.plot(SE, label='Strain energy')
+ plt.plot(TE, label='Total energy')
+ plt.vlines(N0,np.amin(TE),np.amax(TE),colors='r', linestyles='dashed', label='Pulse end')
+ plt.legend()
+ plt.show()
+
+def plot_disp(absolute_path,coords,disp,xmin,xmax,num=0):
+ Nnodes = coords.shape[0]
+ Nel = Nnodes-1
+ fig = plt.figure(figsize=(5, 10))
+ plt.xlim(xmin,xmax)
+ for bar in range(Nel):
+ plt.plot([disp[bar],disp[bar+1]],[coords[bar],coords[bar+1]],'ko-')
+ plt.savefig(absolute_path+'{0}.png'.format(str(num).zfill(3)))
+ plt.close(fig)
+
+def save_gif(absolute_path, coords, all_displacements):
+ disp_min = np.amin(all_displacements)
+ disp_max = np.amax(all_displacements)
+ nbtot = all_displacements.shape[0]
+ with imageio.get_writer('displacement.gif', mode='I') as writer:
+ for k,disp in enumerate(all_displacements):
+ if k%20 == 0: print('Plotting displacement {nb} out of {tot}'.format(nb=k,tot=nbtot))
+ plot_disp(absolute_path,coords,disp,disp_min,disp_max,k)
+ filename = absolute_path+'{0}.png'.format(str(k).zfill(3))
+ image = imageio.imread(filename)
+ writer.append_data(image)
+
+def plot_disp_T(absolute_path,coords,disp,xmin,xmax,num=0):
+ """
+ disp is a dictionnary where the keys are the sinus periods
+ """
+ Nnodes = coords.shape[0]
+ Nel = Nnodes-1
+ periods = [i for i in disp.keys()]
+ fig = plt.figure(figsize=(5, 10))
+ plt.xlim(xmin,xmax)
+ color = plt.cm.rainbow(np.linspace(0, 1, len(periods)))
+ for i, T in enumerate(periods):
+ for bar in range(Nel-1):
+ plt.plot([disp[T][bar],disp[T][bar+1]],[coords[bar],coords[bar+1]],'o-',c=color[i])
+ plt.plot([disp[T][Nel-1],disp[T][Nel]],[coords[Nel-1],coords[Nel]],'o-',c=color[i],label=f'T={T}s')
+ plt.legend(loc='lower right')
+ plt.savefig(absolute_path+'{0}.png'.format(str(num).zfill(3)))
+ plt.close(fig)
+
+def save_gif_T(absolute_path, coords, all_displacements):
+ """
+ all_displacements is a dictionnary where the keys are the sinus periods
+ """
+ periods = [i for i in all_displacements.keys()]
+ disp_min = np.amin(list(all_displacements.values()))
+ disp_max = np.amax(list(all_displacements.values()))
+ nbtot = all_displacements[periods[0]].shape[0]
+ with imageio.get_writer('displacement.gif', mode='I') as writer:
+ for k in range(nbtot):
+ disp = {T:all_displacements[T][k] for T in periods}
+ if k%10 == 0: print('Plotting displacement {nb} out of {tot}'.format(nb=k,tot=nbtot))
+ plot_disp_T(absolute_path,coords,disp,disp_min,disp_max,k)
+ filename = absolute_path+'{0}.png'.format(str(k).zfill(3))
+ image = imageio.imread(filename)
+ writer.append_data(image)
+
+# TOOLS
+
+def compute_M_K(Nnodes, E, A, L, rho=1):
+ """
+ Compute mass and rigidity matrices
+ """
+ M = np.identity(Nnodes)
+ M[0,0] = 1/2
+ M[-1,-1] = 1/2
+ M = M*(L*A*rho)
+ Ktot = 2*np.identity(Nnodes) - np.diag(np.ones(Nnodes-1),1) - np.diag(np.ones(Nnodes-1),-1)
+ Ktot[0,0] = 1
+ Ktot[-1,-1] = 1
+ Ktot = Ktot*(E*A/L)
+ return M, Ktot
+
+def compute_B_weights_old(Nnodes, coords):
+ """
+ Compute strain-displacement matrix (B) and weights of each element
+ """
+ Nel = Nnodes - 1
+ B = np.zeros((Nel, Nnodes)) # link element deformation to node displacement
+ weights = np.zeros((Nel,1)) # weights of each element
+ for i in range(Nel):
+ dX = np.abs(coords[i+1] - coords[i])
+ B[i,i] = -1/dX
+ B[i,i+1] = 1/dX
+ weights[i] = dX
+ return B, weights.ravel()
+
+def compute_B_weights(Nnodes, A, L):
+ """
+ Compute strain-displacement matrix (B) and weights of each element
+ """
+ Nel = Nnodes - 1
+ B = np.zeros((Nel, Nnodes)) # link element deformation to node displacement
+ weights = np.zeros((Nel,1)) # weights of each element
+ for i in range(Nel):
+ B[i,i] = -1/L
+ B[i,i+1] = 1/L
+ weights[i] = A*L
+ return B, weights.ravel()
+
+def compute_Keq(Ce, B, weights):
+ """
+ Compute equivalent stiffness matrix (see DDM algorithm)
+ """
+ return Ce*np.einsum('e,ei,ej->ij',weights,B,B)
+
+def compute_BigMat(Keq, M, beta, dt):
+ """
+ Compute big matrix used in DDM algorithm
+ """
+ Mmod = M/(beta*dt**2)
+ return np.hstack((np.vstack((Keq,Mmod)),np.vstack((-Mmod,Keq))))
+
+def compute_distance(epsi, sigma, weight, dataset, F_cost):
+ """
+ Computes distances between (epsi,sigma) and the whole dataset (can be intensive)
+ """
+ depsi = epsi-dataset[:,0]
+ dsigma = sigma-dataset[:,1]
+ return F_cost(depsi, dsigma, weight)
+
+def find_closest(epsis, sigmas, weights, dataset, F_cost):
+ """
+ Returns indices of closest dataset points to each point of (epsis,sigmas)
+ """
+ if isinstance(weights, float):
+ e,s,w = epsis, sigmas, weights
+ distances = compute_distance(e,s,w,dataset,F_cost)
+ closest_indices = np.argmin(distances)
+
+ else:
+ Nel = weights.shape[0]
+ closest_indices = []
+ for i in range(Nel):
+ e,s,w = epsis[i], sigmas[i], weights[i]
+ distances = compute_distance(e,s,w,dataset,F_cost)
+ closest_index = np.argmin(distances)
+ closest_indices.append(closest_index)
+
+ return closest_indices
\ No newline at end of file
diff --git a/CODE/DDM/frequence_response.py b/CODE/DDM/frequence_response.py
new file mode 100644
index 0000000..c9d50d4
--- /dev/null
+++ b/CODE/DDM/frequence_response.py
@@ -0,0 +1,41 @@
+# Plot frequency response of the 1D wave propagation with DDM
+
+import numpy as np
+import matplotlib.pyplot as plt
+from ddm_wave_prop import *
+
+path = r'C:/Travail/EPFL/Cours/M2/Projet CSE/LAMMPS/Dataset/'
+
+# PARAMETERS
+Ttime = 1.0
+dt = 0.001
+L = 0.05
+A = L**2
+E = 2e6 # fix value to get right strain energy
+rho = 2000 # 2500*0.8
+
+# SINUS PARAMETERS
+nb_periods = 500 # about 30 minutes for 500 periods
+periods = np.logspace(-2,0,num=nb_periods)
+ampl = 0.01
+
+# DATASET
+dataset = load_dataset(path)
+
+ampl_ratio = []
+for k, t0 in enumerate(periods):
+ Ttime = 10*t0 # 10 PERIODS
+ dt = t0/50 # 50 timestep per period
+ displacement = lambda t: ampl*np.sin(2*np.pi*t/t0)
+ coords, all_displacements, KE, SE, TE = wave_propagation_pressure(dataset, E, A, L, displacement, Ttime, dt, rho)
+ disp_nodes = np.array(all_displacements).T # transpose displacements to index it by nodes
+ max_ampl = np.abs(np.max(disp_nodes[-1]))
+ ampl_ratio.append(max_ampl/ampl)
+ if k%10 == 0: print('Progression: {}%'.format(100*k/nb_periods))
+
+plt.figure(figsize=(10, 6))
+plt.semilogx(periods, ampl_ratio)
+plt.xlabel('Period [s]')
+plt.ylabel('Amplification ratio')
+plt.savefig('Frequency_response.png')
+plt.show()
\ No newline at end of file
diff --git a/CODE/DDM/plots.py b/CODE/DDM/plots.py
new file mode 100644
index 0000000..2bfdd06
--- /dev/null
+++ b/CODE/DDM/plots.py
@@ -0,0 +1,58 @@
+import numpy as np
+import matplotlib.pyplot as plt
+from ddm_wave_prop import *
+
+dataset_path = r'C:/Travail/EPFL/Cours/M2/Projet CSE/LAMMPS/Dataset/'
+gif_path = r'C:/Travail/EPFL/Cours/M2/Projet CSE/CODE/DDM/img/'
+
+create_gif = True
+plot_energies = True
+plot_displacements = True
+
+# PARAMETERS
+Ttime = 0.3 # total time (s) BEFORE 2s
+dt = 0.001 # timestep (s)
+L = 0.05 # element length (m)
+A = L**2 # element cross-section area (m2)
+E = 2e6 # young modulus (only useful for strain energy)
+rho = 2000 # = 2500*0.8 kg/m3
+
+# BC POSSIBLE DISPLACEMENTS
+t0 = 0.1 # sinus period (s)
+ampl = 0.01 # sinus amplitude (m)
+sinus = lambda t: ampl*np.sin(2*np.pi*t/t0)
+def pulse_sinus(t):
+ if t<t0: return ampl*np.sin(2*np.pi*t/t0)
+ else: return 0
+def zero(t):
+ return 0
+
+# CHOOSE DISPLACEMENT
+displacement = sinus
+
+# DATASET
+dataset = load_dataset(dataset_path)
+
+# DDM SIMULATION
+coords, all_displacements, KE, SE, TE = wave_propagation_pressure(dataset, E, A, L, displacement, Ttime, dt, rho)
+#np.savetxt("coordinates.csv", coords, delimiter=",")
+#np.savetxt("displacement.csv", all_displacements, delimiter=",")
+
+if plot_displacements:
+ Nnodes = coords.shape[0]
+ disp_nodes = np.array(all_displacements).T # transpose displacements to index it by nodes
+ plt.figure(figsize=(10, 6))
+ plt.plot(np.arange(0,Ttime+dt,dt),disp_nodes[0],label='Bottom node')
+ plt.plot(np.arange(0,Ttime+dt,dt),disp_nodes[-1],label='Top node')
+ plt.xlabel('Time [s]')
+ plt.ylabel('Horizontal displacement [m]')
+ plt.legend()
+ plt.show()
+
+# PLOT ENERGY
+if plot_energies:
+ plot_energy(KE, SE, TE, t0/dt)
+
+# CREATE GIF
+if create_gif:
+ save_gif(gif_path, coords, all_displacements)
\ No newline at end of file
diff --git a/CODE/DDM/plots_multiple.py b/CODE/DDM/plots_multiple.py
new file mode 100644
index 0000000..0e88cb8
--- /dev/null
+++ b/CODE/DDM/plots_multiple.py
@@ -0,0 +1,32 @@
+import numpy as np
+import matplotlib.pyplot as plt
+from ddm_wave_prop import *
+
+dataset_path = r'C:/Travail/EPFL/Cours/M2/Projet CSE/LAMMPS/Dataset/'
+gif_path = r'C:/Travail/EPFL/Cours/M2/Projet CSE/CODE/DDM/img/'
+
+create_gif = True
+plot_energies = True
+plot_displacements = True
+
+# PARAMETERS
+L = 0.05 # element length (m)
+A = L**2 # element cross-section area (m2)
+E = 2e6 # young modulus (only useful for strain energy)
+rho = 2000 # = 2500*0.8 kg/m3
+
+periods = [0.07, 0.11,0.2] # sinus periods (s)
+ampl = 0.01 # sinus amplitude (m)
+
+# DATASET
+dataset = load_dataset(dataset_path)
+all_displacements = {}
+
+for t0 in periods:
+ dt = t0/100. # timestep to get 100 points per periods
+ Ttime = 3*t0 # plot 3 periods
+ displacement = lambda t: ampl*np.sin(2*np.pi*t/t0)
+ coords, all_displacements_t0, KE, SE, TE = wave_propagation_pressure(dataset, E, A, L, displacement, Ttime, dt, rho)
+ all_displacements[t0] = all_displacements_t0
+
+save_gif_T(gif_path, coords, all_displacements)
\ No newline at end of file
diff --git a/CODE/DDM/test/ddm_wave_prop.py b/CODE/DDM/test/ddm_wave_prop.py
new file mode 100644
index 0000000..87ac885
--- /dev/null
+++ b/CODE/DDM/test/ddm_wave_prop.py
@@ -0,0 +1,509 @@
+import numpy as np
+import matplotlib.pyplot as plt
+import random
+import imageio # to create gif
+import pandas as pd
+
+# MAIN COMPUTATION
+
+# Fixed node at the top
+def wave_propagation_old(dataset, Nnodes, E, A, L, displacement, Ttime, dt):
+ """
+ INPUT
+ dataset = array of points [epsilon,sigma]
+ Nnodes = number of nodes in the 1D mesh
+ E = Young modulus
+ A = beam section
+ L = beam length
+ displacement = imposed displacement at bottom node 0 (function of time)
+ Ttime = total time of simulation
+ dt = time step for simumation
+ OUTPUT
+ coords = nodes coordinates
+ all_displacements = nodes displacements at each timestep
+ KE_list = kinetic energy at each timestep
+ SE_list = strain energy at each timestep
+ TE_list = total energy at each timestep
+ """
+
+ # Dataset properties
+ Ndata = dataset.shape[0]
+
+ # Distance function
+ Ce = 1
+ We = lambda x : 0.5*Ce*x**2
+ We_s = lambda x : 0.5/Ce*x**2
+ def F_cost(epsis, sigmas, weights):
+ return np.multiply(weights, We(epsis)+We_s(sigmas))
+
+ # Geometry
+ coords = L*np.arange(Nnodes)
+ Nel = Nnodes - 1
+
+ # Time parameters
+ Nt = int(Ttime/dt)
+ beta = 0.25
+ gamma = 0.5
+
+ # Generate matrices
+ M, Ktot = compute_M_K(Nnodes, E, A, L)
+ B, weights = compute_B_weights_old(Nnodes, coords)
+ Keq = compute_Keq(Ce, B, weights)
+
+ # Apply boundary conditions
+ Nfree = Nnodes - 2
+ F_free = np.zeros(Nfree)
+ Keq_free = Keq[1:-1,1:-1]
+ M_free = M[1:-1,1:-1]
+ B_free = B[:,1:-1]
+ BigMat = compute_BigMat(Keq_free, M_free, beta, dt)
+ virtual_force = np.hstack((Keq[1:-1,0],M[1:-1,0]/(beta*dt**2)))
+
+ # Pick initial guess
+ random.seed(42)
+ guess_list = [random.randint(0,Ndata-1) for _ in range(Nel)]
+ initial_guess = dataset[guess_list,:]
+
+ # Initialize displacement, velocity and acceleration vectors
+ u, v, a = np.zeros(Nnodes), np.zeros(Nnodes), np.zeros(Nnodes)
+ eta = np.zeros(Nnodes)
+ converged = False
+ all_displacements = np.zeros(Nnodes)
+ guess = initial_guess
+
+ # Energy (for plotting only)
+ KE_list = []
+ SE_list = []
+ TE_list = []
+
+ for k in range(Nt): # Loop for time integration
+ u_previous, v_previous , a_previous = u.copy(), v.copy(), a.copy()
+
+ # Predictor step
+ u_pred = u_previous + dt*v_previous + (0.5-beta)*dt**2*a_previous
+ v_pred = v_previous + (1-gamma)*dt*a_previous
+
+ # Solving corrector step with fixed point:
+ for i in range(100): # Loop for fixed point
+
+ # Imposed displacement
+ disp = displacement(k*dt)
+
+ rhs_up = Ce*np.einsum('e,e,ei->i',weights,guess[:,0],B_free)
+ rhs_down = F_free.ravel() - np.einsum('e,e,ei->i',weights,guess[:,1],B_free) + M_free.dot(u_pred[1:-1])/(beta*dt**2)
+ rhs = np.vstack((rhs_up.reshape((-1,1)), rhs_down.reshape((-1,1)))).ravel() - disp*virtual_force
+
+ u_eta = np.linalg.solve(BigMat, rhs)
+
+ u[1:-1]=u_eta[:Nfree]
+ u[0] = disp
+ eta[1:-1] = u_eta[Nfree:]
+
+ epsi_comp = B.dot(u)
+ sigma_comp = guess[:,1] + Ce*B.dot(eta)
+ closest = find_closest(epsi_comp, sigma_comp, weights, dataset, F_cost)
+
+ if closest == guess_list:
+ converged = True
+ break
+ guess_list=closest
+ guess=dataset[guess_list,:]
+
+ if converged:
+ all_displacements = np.vstack([all_displacements,u])
+ a = (u-u_pred)/(beta*dt**2)
+ v = v_pred+gamma*dt*a
+ KE = v.T @ M @ v
+ SE = u.T @ Ktot @ u
+ KE_list.append(KE)
+ SE_list.append(SE)
+ TE_list.append(KE+SE)
+ else: break
+
+ print('DD computation finished')
+
+ return coords, all_displacements, KE_list, SE_list, TE_list
+
+# Free node at the top
+def wave_propagation(dataset, Nnodes, E, A, L, displacement, Ttime, dt):
+ """
+ INPUT
+ dataset = array of points [epsilon,sigma]
+ Nnodes = number of nodes in the 1D mesh
+ E = Young modulus
+ A = beam section
+ L = beam length
+ displacement = imposed displacement at bottom node 0 (function of time)
+ Ttime = total time of simulation
+ dt = time step for simumation
+ OUTPUT
+ coords = nodes coordinates
+ all_displacements = nodes displacements at each timestep
+ KE_list = kinetic energy at each timestep
+ SE_list = strain energy at each timestep
+ TE_list = total energy at each timestep
+ """
+
+ # Dataset properties
+ Ndata = dataset.shape[0]
+
+ # Distance function
+ Ce = 1
+ We = lambda x : 0.5*Ce*x**2
+ We_s = lambda x : 0.5/Ce*x**2
+ def F_cost(epsis, sigmas, weights):
+ return np.multiply(weights, We(epsis)+We_s(sigmas))
+
+ # Geometry
+ coords = L*np.arange(Nnodes)
+ Nel = Nnodes - 1
+
+ # Time parameters
+ Nt = int(Ttime/dt)
+ beta = 0.25
+ gamma = 0.5
+
+ # Generate matrices
+ M, Ktot = compute_M_K(Nnodes, E, A, L) # Ktot only used for energy verification
+ B, weights = compute_B_weights_old(Nnodes, coords)
+ Keq = compute_Keq(Ce, B, weights)
+
+ # Apply boundary conditions
+ Nfree = Nnodes - 1
+ F_free = np.zeros(Nfree)
+ Keq_free = Keq[1:,1:]
+ M_free = M[1:,1:]
+ B_free = B[:,1:]
+ BigMat = compute_BigMat(Keq_free, M_free, beta, dt)
+ virtual_force = np.hstack((Keq[1:,0],M[1:,0]/(beta*dt**2)))
+
+ # Pick initial guess
+ random.seed(42)
+ guess_list = [random.randint(0,Ndata-1) for _ in range(Nel)]
+ initial_guess = dataset[guess_list,:]
+
+ # Initialize displacement, velocity and acceleration vectors
+ u, v, a = np.zeros(Nnodes), np.zeros(Nnodes), np.zeros(Nnodes)
+ eta = np.zeros(Nnodes)
+ converged = False
+ all_displacements = np.zeros(Nnodes)
+ guess = initial_guess
+
+ # Energy (for plotting only)
+ KE_list = []
+ SE_list = []
+ TE_list = []
+
+ for k in range(Nt): # Loop for time integration
+ u_previous, v_previous , a_previous = u.copy(), v.copy(), a.copy()
+
+ # Predictor step
+ u_pred = u_previous + dt*v_previous + (0.5-beta)*dt**2*a_previous
+ v_pred = v_previous + (1-gamma)*dt*a_previous
+
+ # Solving corrector step with fixed point:
+ for i in range(100): # Loop for fixed point
+
+ # Imposed displacement
+ disp = displacement(k*dt)
+
+ rhs_up = Ce*np.einsum('e,e,ei->i',weights,guess[:,0],B_free)
+ rhs_down = F_free.ravel() - np.einsum('e,e,ei->i',weights,guess[:,1],B_free) + M_free.dot(u_pred[1:])/(beta*dt**2)
+ rhs = np.vstack((rhs_up.reshape((-1,1)), rhs_down.reshape((-1,1)))).ravel() - disp*virtual_force
+
+ u_eta = np.linalg.solve(BigMat, rhs)
+
+ u[1:]=u_eta[:Nfree]
+ u[0] = disp
+ eta[1:] = u_eta[Nfree:]
+
+ epsi_comp = B.dot(u)
+ sigma_comp = guess[:,1] + Ce*B.dot(eta)
+ closest = find_closest(epsi_comp, sigma_comp, weights, dataset, F_cost)
+
+ if closest == guess_list:
+ converged = True
+ break
+ guess_list=closest
+ guess=dataset[guess_list,:]
+
+ if converged:
+ all_displacements = np.vstack([all_displacements,u])
+ a = (u-u_pred)/(beta*dt**2)
+ v = v_pred+gamma*dt*a
+ KE = v.T @ M @ v
+ SE = u.T @ Ktot @ u
+ KE_list.append(KE)
+ SE_list.append(SE)
+ TE_list.append(KE+SE)
+ else: break
+
+ print('DD computation finished')
+
+ return coords, all_displacements, KE_list, SE_list, TE_list
+
+# Free node at the top, confinement pressure
+def wave_propagation_pressure(dataset, E, A, L, displacement, Ttime, dt, rho=1):
+ """
+ INPUT
+ dataset = array of points [epsilon,sigma]
+ Nnodes = number of nodes in the 1D mesh
+ E = Young modulus
+ A = beam section
+ L = beam length
+ displacement = imposed displacement at bottom node 0 (function of time)
+ Ttime = total time of simulation
+ dt = time step for simumation
+ OUTPUT
+ coords = nodes coordinates
+ all_displacements = nodes displacements at each timestep
+ KE_list = kinetic energy at each timestep
+ SE_list = strain energy at each timestep
+ TE_list = total energy at each timestep
+ """
+
+ # Dataset properties
+ pressures = [p for p in dataset.keys()]
+ pressures.sort(reverse=True) # all pressures from largest to smallest
+ Nel = len(pressures)
+ Nnodes = Nel + 1
+
+ # Distance function
+ Ce = E
+ We = lambda x : 0.5*Ce*x**2
+ We_s = lambda x : 0.5/Ce*x**2
+ def F_cost(epsis, sigmas, weights):
+ return np.multiply(weights, We(epsis)+We_s(sigmas))
+
+ # Geometry
+ coords = L*np.arange(Nnodes)
+
+ # Time parameters
+ Nt = int(Ttime/dt)
+ beta = 0.25
+ gamma = 0.5
+
+ # Generate matrices
+ M, Ktot = compute_M_K(Nnodes, E, A, L, rho) # Ktot only used for energy verification
+ B, weights = compute_B_weights(Nnodes, A, L)
+ Keq = compute_Keq(Ce, B, weights)
+
+ # Apply boundary conditions
+ Nfree = Nnodes - 1
+ F_free = np.zeros(Nfree)
+ Keq_free = Keq[1:,1:]
+ M_free = M[1:,1:]
+ B_free = B[:,1:]
+ BigMat = compute_BigMat(Keq_free, M_free, beta, dt)
+ virtual_force = np.hstack((Keq[1:,0],M[1:,0]/(beta*dt**2)))
+
+ # Pick initial guess
+ initial_guess = np.zeros((Nel,2))
+ guess_indices = np.zeros(Nel,dtype=int)
+ for i, p in enumerate(pressures):
+ Ndata = dataset[p].shape[0]
+ guess_index = random.randint(0,Ndata-1)
+ guess_indices[i] = guess_index
+ initial_guess[i,:] = dataset[p][guess_index,:]
+
+ # Initialize displacement, velocity and acceleration vectors
+ u, v, a = np.zeros(Nnodes), np.zeros(Nnodes), np.zeros(Nnodes)
+ eta = np.zeros(Nnodes)
+ converged = False
+ all_displacements = np.zeros(Nnodes)
+ guess = initial_guess
+ guess_indices_old = np.copy(guess_indices)
+
+ # Energy (for plotting only)
+ KE_list = []
+ SE_list = []
+ TE_list = []
+
+ for k in range(Nt): # Loop for time integration
+ converged = False # NEW BUT NECESSARY
+
+ u_previous, v_previous , a_previous = u.copy(), v.copy(), a.copy()
+
+ # Predictor step
+ u_pred = u_previous + dt*v_previous + (0.5-beta)*dt**2*a_previous
+ v_pred = v_previous + (1-gamma)*dt*a_previous
+
+ # Solving corrector step with fixed point:
+ for i in range(100): # Loop for fixed point
+
+ # Imposed displacement
+ disp = displacement(k*dt)
+
+ rhs_up = Ce*np.einsum('e,e,ei->i',weights,guess[:,0],B_free)
+ rhs_down = F_free.ravel() - np.einsum('e,e,ei->i',weights,guess[:,1],B_free) + M_free.dot(u_pred[1:])/(beta*dt**2)
+ rhs = np.vstack((rhs_up.reshape((-1,1)), rhs_down.reshape((-1,1)))).ravel() - disp*virtual_force
+
+ u_eta = np.linalg.solve(BigMat, rhs)
+
+ u[1:]=u_eta[:Nfree]
+ u[0] = disp
+ eta[1:] = u_eta[Nfree:]
+
+ epsi_comp = B.dot(u)
+ sigma_comp = guess[:,1] + Ce*B.dot(eta)
+
+ for j, p in enumerate(pressures):
+ closest_index = find_closest(epsi_comp[j], sigma_comp[j], weights[j], dataset[p], F_cost)
+ guess_indices[j] = closest_index
+
+ if (guess_indices_old == guess_indices).all():
+ converged = True
+ break
+ guess_indices_old = np.copy(guess_indices)
+ for j, p in enumerate(pressures):
+ guess[j] = dataset[p][guess_indices[j],:]
+
+ if converged:
+ all_displacements = np.vstack([all_displacements,u])
+ a = (u-u_pred)/(beta*dt**2)
+ v = v_pred+gamma*dt*a
+ KE = v.T @ M @ v
+ SE = u.T @ Ktot @ u
+ KE_list.append(KE)
+ SE_list.append(SE)
+ TE_list.append(KE+SE)
+ else:
+ print('Convergence failed!')
+ break
+
+ print('DD computation finished')
+
+ return coords, all_displacements, KE_list, SE_list, TE_list
+
+# LOAD DATASET
+
+def load_dataset(path):
+ """
+ From pickle file, load dataset in the form of a dictionnary (key = confinement pressure)
+ """
+ df = pd.read_pickle(path + 'dataset')
+ col = df.columns
+ dataset = {}
+ for i in range(int(len(col)/2)):
+ Pressure = int(col[2*i].split()[1][2:-2])
+ Strain = df[col[2*i]].dropna()
+ Stress = df[col[2*i+1]].dropna()
+ dataset[Pressure] = np.array([[e,s] for e,s in zip(Strain,Stress)])
+ return dataset
+
+# PLOTS
+
+def plot_energy(KE, SE, TE, N0=0):
+ plt.figure()
+ plt.plot(KE, label='Kinetic energy')
+ plt.plot(SE, label='Strain energy')
+ plt.plot(TE, label='Total energy')
+ plt.vlines(N0,np.amin(TE),np.amax(TE),colors='r', linestyles='dashed', label='Pulse end')
+ plt.legend()
+ plt.show()
+
+def plot_disp(absolute_path,coords,disp,xmin,xmax,num=0):
+ Nnodes = coords.shape[0]
+ Nel = Nnodes-1
+ fig = plt.figure(figsize=(5, 10))
+ plt.xlim(xmin,xmax)
+ for bar in range(Nel):
+ plt.plot([disp[bar],disp[bar+1]],[coords[bar],coords[bar+1]],'ko-')
+ plt.savefig(absolute_path+'{0}.png'.format(str(num).zfill(3)))
+ plt.close(fig)
+
+def save_gif(absolute_path, coords, all_displacements):
+ disp_min = np.amin(all_displacements)
+ disp_max = np.amax(all_displacements)
+ nbtot = all_displacements.shape[0]
+ with imageio.get_writer('displacement.gif', mode='I') as writer:
+ for k,disp in enumerate(all_displacements):
+ if k%20 == 0: print('Plotting displacement {nb} out of {tot}'.format(nb=k,tot=nbtot))
+ plot_disp(absolute_path,coords,disp,disp_min,disp_max,k)
+ filename = absolute_path+'{0}.png'.format(str(k).zfill(3))
+ image = imageio.imread(filename)
+ writer.append_data(image)
+
+# TOOLS
+
+def compute_M_K(Nnodes, E, A, L, rho=1):
+ """
+ Compute mass and rigidity matrices
+ """
+ M = np.identity(Nnodes)
+ M[0,0] = 1/2
+ M[-1,-1] = 1/2
+ M = M*(L*A*rho)
+ Ktot = 2*np.identity(Nnodes) - np.diag(np.ones(Nnodes-1),1) - np.diag(np.ones(Nnodes-1),-1)
+ Ktot[0,0] = 1
+ Ktot[-1,-1] = 1
+ Ktot = Ktot*(E*A/L)
+ return M, Ktot
+
+def compute_B_weights_old(Nnodes, coords):
+ """
+ Compute strain-displacement matrix (B) and weights of each element
+ """
+ Nel = Nnodes - 1
+ B = np.zeros((Nel, Nnodes)) # link element deformation to node displacement
+ weights = np.zeros((Nel,1)) # weights of each element
+ for i in range(Nel):
+ dX = np.abs(coords[i+1] - coords[i])
+ B[i,i] = -1/dX
+ B[i,i+1] = 1/dX
+ weights[i] = dX
+ return B, weights.ravel()
+
+def compute_B_weights(Nnodes, A, L):
+ """
+ Compute strain-displacement matrix (B) and weights of each element
+ """
+ Nel = Nnodes - 1
+ B = np.zeros((Nel, Nnodes)) # link element deformation to node displacement
+ weights = np.zeros((Nel,1)) # weights of each element
+ for i in range(Nel):
+ B[i,i] = -1/L
+ B[i,i+1] = 1/L
+ weights[i] = A*L
+ return B, weights.ravel()
+
+def compute_Keq(Ce, B, weights):
+ """
+ Compute equivalent stiffness matrix (see DDM algorithm)
+ """
+ return Ce*np.einsum('e,ei,ej->ij',weights,B,B)
+
+def compute_BigMat(Keq, M, beta, dt):
+ """
+ Compute big matrix used in DDM algorithm
+ """
+ Mmod = M/(beta*dt**2)
+ return np.hstack((np.vstack((Keq,Mmod)),np.vstack((-Mmod,Keq))))
+
+def compute_distance(epsi, sigma, weight, dataset, F_cost):
+ """
+ Computes distances between (epsi,sigma) and the whole dataset (can be intensive)
+ """
+ depsi = epsi-dataset[:,0]
+ dsigma = sigma-dataset[:,1]
+ return F_cost(depsi, dsigma, weight)
+
+def find_closest(epsis, sigmas, weights, dataset, F_cost):
+ """
+ Returns indices of closest dataset points to each point of (epsis,sigmas)
+ """
+ if isinstance(weights, float):
+ e,s,w = epsis, sigmas, weights
+ distances = compute_distance(e,s,w,dataset,F_cost)
+ closest_indices = np.argmin(distances)
+
+ else:
+ Nel = weights.shape[0]
+ closest_indices = []
+ for i in range(Nel):
+ e,s,w = epsis[i], sigmas[i], weights[i]
+ distances = compute_distance(e,s,w,dataset,F_cost)
+ closest_index = np.argmin(distances)
+ closest_indices.append(closest_index)
+
+ return closest_indices
\ No newline at end of file
diff --git a/CODE/DDM/test/fem_wave_prop.py b/CODE/DDM/test/fem_wave_prop.py
new file mode 100644
index 0000000..255f624
--- /dev/null
+++ b/CODE/DDM/test/fem_wave_prop.py
@@ -0,0 +1,135 @@
+import numpy as np
+import matplotlib.pyplot as plt
+import imageio # to create gif
+
+# PARAMETERS
+
+absolute_path = r'C:/Travail/EPFL/Cours/M2/Projet CSE/CODE/DDM/img/'
+Nnodes = 100 #50
+Ttime = 20 #50
+dt = 0.1
+L = 0.1
+E = 1
+
+f = 2 # sinus frequence
+t0 = 5 # pulse duration
+linear = lambda t : 0.1*t # linear displacement
+sinus = lambda t : 0.1*np.sin(2*np.pi*f*t/Ttime) # sinus excitation
+def pulse(t):
+ if t<t0: return 1
+ else: return 0
+def pulse_sinus(t):
+ if t<t0: return 0.01*np.sin(2*np.pi*t/t0)
+ else: return 0
+displacement = pulse_sinus
+
+# Geometry
+
+coords = L*np.arange(Nnodes)
+Nel = Nnodes - 1
+
+# Time parameters
+
+Nt = int(Ttime/dt)
+beta = 0.25
+gamma = 0.5
+
+# Generate matrices
+
+def compute_M_B_and_weights():
+ B = np.zeros((Nel, Nnodes)) # link element deformation to node displacement
+ M = np.zeros((Nnodes, Nnodes)) # mass matrix (1D)
+ weights = np.zeros((Nel,1)) # weights of each element
+ for i in range(Nel):
+ dX = np.abs(coords[i+1] - coords[i])
+ B[i,i] = -1/dX
+ B[i,i+1] = 1/dX
+ weights[i]=dX
+ M[i, i] += weights[i]/2
+ M[i+1, i+1] += weights[i]/2
+ return M, B, weights.ravel()
+
+def compute_M_K():
+ M = np.identity(Nnodes)
+ M[0,0] = 1/2
+ M[-1,-1] = 1/2
+ M = M*L
+ Ktot = 2*np.identity(Nnodes) - np.diag(np.ones(Nnodes-1),1) - np.diag(np.ones(Nnodes-1),-1)
+ Ktot[0,0] = 1
+ Ktot[-1,-1] = 1
+ Ktot = Ktot*(E/L)
+ return M, Ktot
+
+M, Ktot = compute_M_K()
+
+# Apply boundary conditions
+
+Nfree = Nnodes - 2
+F_free = np.zeros(Nfree)
+K_free = Ktot[1:-1,1:-1]
+M_free = M[1:-1,1:-1]
+virtual_force = Ktot[1:-1,0]
+
+# Loop
+
+all_displacements = np.zeros(Nnodes)
+
+u, v, a = np.zeros(Nnodes), np.zeros(Nnodes), np.zeros(Nnodes)
+Mprime = M_free/(dt**2*beta) + K_free
+
+KE_list = []
+SE_list = []
+TE_list = []
+
+for k in range(Nt):
+ u_previous, v_previous , a_previous = u.copy(), v.copy(), a.copy()
+ u_pred = u_previous + dt*v_previous + (0.5-beta)*dt**2*a_previous
+ v_pred = v_previous + (1-gamma)*dt*a_previous
+
+ disp = displacement(k*dt)
+
+ u[1:-1]=np.linalg.solve(Mprime,F_free+M_free.dot(u_pred[1:-1])/(beta*dt**2)-disp*virtual_force)
+ u[0] = disp
+
+ a = (u-u_pred)/(beta*dt**2)
+ v = v_pred+gamma*dt*a
+
+ all_displacements = np.vstack([all_displacements,u])
+
+ KE = v.T @ M @ v
+ SE = u.T @ Ktot @ u
+ KE_list.append(KE)
+ SE_list.append(SE)
+ TE_list.append(KE+SE)
+
+print('FEM computation finished')
+
+plt.figure()
+plt.plot(KE_list, label='Kinetic energy')
+plt.plot(SE_list, label='Strain energy')
+plt.plot(TE_list, label='Total energy')
+plt.vlines(t0/dt,np.amin(TE_list),np.amax(TE_list),colors='r', linestyles='dashed', label='Pulse end')
+plt.legend()
+plt.show()
+
+# Create gif
+
+disp_min = np.amin(all_displacements)
+disp_max = np.amax(all_displacements)
+nbtot = all_displacements.shape[0]
+
+def plot_disp(coords,disp,num=0):
+ fig = plt.figure(figsize=(5, 10))
+ plt.xlim(disp_min,disp_max)
+ for bar in range(Nel):
+ plt.plot([disp[bar],disp[bar+1]],[coords[bar],coords[bar+1]],'ko-')
+ plt.savefig(absolute_path+'{0}.png'.format(str(num).zfill(3)))
+ plt.close(fig)
+
+with imageio.get_writer('displacement_FEM.gif', mode='I') as writer:
+ for k,disp in enumerate(all_displacements):
+ if k%20 == 0: print('Plotting displacement {nb} out of {tot}'.format(nb=k,tot=nbtot))
+ plot_disp(coords,disp,k)
+ filename = absolute_path+'{0}.png'.format(str(k).zfill(3))
+ image = imageio.imread(filename)
+ writer.append_data(image)
\ No newline at end of file
diff --git a/CODE/DDM/test/generate_gif_simple.py b/CODE/DDM/test/generate_gif_simple.py
new file mode 100644
index 0000000..7e7bbe8
--- /dev/null
+++ b/CODE/DDM/test/generate_gif_simple.py
@@ -0,0 +1,68 @@
+import numpy as np
+import matplotlib.pyplot as plt
+import random
+from ddm_wave_prop import *
+
+# PARAMETERS
+gif_path = r'C:/Travail/EPFL/Cours/M2/Projet CSE/CODE/DDM/img/'
+Nnodes = 20
+Ttime = 20
+dt = 0.1
+Ndata = 1001
+L = 0.1
+E = 1
+A = 1
+
+# BC DISPLACEMENTS
+t0 = 5 # pulse duration
+f = 2 # sinus frequence
+linear = lambda t : 0.1*t # linear displacement
+sinus = lambda t : 0.1*np.sin(2*np.pi*f*t) # sinus excitation
+def pulse(t):
+ if t<t0: return 1
+ else: return 0
+def pulse_sinus(t):
+ if t<t0: return 0.01*np.sin(2*np.pi*t/t0)
+ else: return 0
+
+displacement = pulse_sinus
+
+# DATASET
+Young = lambda epsi : E*epsi
+DBepsis = np.linspace(-1,1,Ndata)
+DBsigmas = Young(DBepsis)
+#dataset = np.array([[e,s] for e,s in zip(DBepsis,DBsigmas)])
+dataset = {i:np.array([[e,s] for e,s in zip(DBepsis,DBsigmas)]) for i in range(Nnodes-1)}
+
+# DDM SIMULATION
+#coords, all_displacements, KE, SE, TE = wave_propagation(dataset, Nnodes, E, A, L, displacement, Ttime, dt)
+coords, all_displacements, KE, SE, TE = wave_propagation_pressure(dataset, E, A, L, displacement, Ttime, dt)
+
+# PLOT ENERGY
+plot_energy(KE, SE, TE, t0/dt)
+
+# CREATE GIF
+save_gif(gif_path, coords, all_displacements)
+
+"""
+# PLOT ENERGY GAIN VS SIZE OF DATASET
+#Ndata_list = [101, 251, 501, 751, 1001, 1501, 2001, 2501, 3001, 5001, 7501, 10001]
+Ndata_list = [2**n + 1 for n in range(6,16)]
+delta_TE = [] # total energy variation btw pulse stop and end
+for Ndata in Ndata_list:
+ # Create dataset
+ Young = lambda epsi : E*epsi
+ DBepsis = np.linspace(-1,1,Ndata)
+ DBsigmas = Young(DBepsis)
+ dataset = np.array([[e,s] for e,s in zip(DBepsis,DBsigmas)])
+ # DDM computation
+ _, _, _, _, TE = wave_propagation(dataset, Nnodes, E, A, L, displacement, Ttime, dt)
+ delta_TE.append(TE[-1] - TE[int(t0/dt)])
+ print('Done for Ndata = ' + str(Ndata))
+plt.plot(Ndata_list,delta_TE, '.k')
+plt.xscale('log')
+plt.yscale('log')
+plt.xlabel('Dataset size')
+plt.ylabel('Energy created')
+plt.show()
+"""
\ No newline at end of file
diff --git a/DATASET/P=100000Pa/1_generate_conf_100000Pa.in b/DATASET/P=100000Pa/1_generate_conf_100000Pa.in
new file mode 100644
index 0000000..895e6e8
--- /dev/null
+++ b/DATASET/P=100000Pa/1_generate_conf_100000Pa.in
@@ -0,0 +1,265 @@
+atom_style sphere
+atom_modify map array
+dimension 2
+boundary p p p
+newton off
+comm_modify vel yes
+units si
+
+region reg block 0.0 0.1 0 0.1 -0.0005 0.0005 units box
+variable confinement_pressure equal 100000
+
+# How many grain/atom types
+create_box 6 reg
+
+# Size of bins for more efficiently searching for grain contacts.
+neighbor 0.001 bin
+
+# Reconstruct the neighbor list without any delay, every time-step
+neigh_modify delay 0
+
+# Glass marbles, tangential force
+pair_style gran/hertz/history 36630036630.0 0.0 0.2 NULL 0.0 0
+
+pair_coeff * *
+
+timestep 1e-8
+
+fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
+
+# Particle insertion in regions
+
+region region_gouge_1 block 0.00 0.1 0.0000 0.0025 -0.0005 0.0005 units box
+region region_gouge_2 block 0.00 0.1 0.0025 0.0050 -0.0005 0.0005 units box
+region region_gouge_3 block 0.00 0.1 0.0050 0.0075 -0.0005 0.0005 units box
+region region_gouge_4 block 0.00 0.1 0.0075 0.0100 -0.0005 0.0005 units box
+region region_gouge_5 block 0.00 0.1 0.0100 0.0125 -0.0005 0.0005 units box
+region region_gouge_6 block 0.00 0.1 0.0125 0.0150 -0.0005 0.0005 units box
+region region_gouge_7 block 0.00 0.1 0.0150 0.0175 -0.0005 0.0005 units box
+region region_gouge_8 block 0.00 0.1 0.0175 0.0200 -0.0005 0.0005 units box
+region region_gouge_9 block 0.00 0.1 0.0200 0.0225 -0.0005 0.0005 units box
+region region_gouge_10 block 0.00 0.1 0.0225 0.0250 -0.0005 0.0005 units box
+region region_gouge_11 block 0.00 0.1 0.0250 0.0275 -0.0005 0.0005 units box
+region region_gouge_12 block 0.00 0.1 0.0275 0.0300 -0.0005 0.0005 units box
+region region_gouge_13 block 0.00 0.1 0.0300 0.0325 -0.0005 0.0005 units box
+region region_gouge_14 block 0.00 0.1 0.0325 0.0350 -0.0005 0.0005 units box
+region region_gouge_15 block 0.00 0.1 0.0350 0.0375 -0.0005 0.0005 units box
+region region_gouge_16 block 0.00 0.1 0.0375 0.0400 -0.0005 0.0005 units box
+region region_gouge_17 block 0.00 0.1 0.0400 0.0425 -0.0005 0.0005 units box
+region region_gouge_18 block 0.00 0.1 0.0425 0.0450 -0.0005 0.0005 units box
+region region_gouge_19 block 0.00 0.1 0.0450 0.0475 -0.0005 0.0005 units box
+region region_gouge_20 block 0.00 0.1 0.0475 0.0500 -0.0005 0.0005 units box
+region region_gouge_21 block 0.00 0.1 0.0500 0.0525 -0.0005 0.0005 units box
+region region_gouge_22 block 0.00 0.1 0.0525 0.0550 -0.0005 0.0005 units box
+region region_gouge_23 block 0.00 0.1 0.0550 0.0575 -0.0005 0.0005 units box
+region region_gouge_24 block 0.00 0.1 0.0575 0.0600 -0.0005 0.0005 units box
+region region_gouge_25 block 0.00 0.1 0.0600 0.0625 -0.0005 0.0005 units box
+region region_gouge_26 block 0.00 0.1 0.0625 0.0650 -0.0005 0.0005 units box
+region region_gouge_27 block 0.00 0.1 0.0650 0.0675 -0.0005 0.0005 units box
+region region_gouge_28 block 0.00 0.1 0.0675 0.0700 -0.0005 0.0005 units box
+region region_gouge_29 block 0.00 0.1 0.0700 0.0725 -0.0005 0.0005 units box
+region region_gouge_30 block 0.00 0.1 0.0725 0.0750 -0.0005 0.0005 units box
+region region_gouge_31 block 0.00 0.1 0.0750 0.0775 -0.0005 0.0005 units box
+region region_gouge_32 block 0.00 0.1 0.0775 0.0800 -0.0005 0.0005 units box
+region region_gouge_33 block 0.00 0.1 0.0800 0.0825 -0.0005 0.0005 units box
+region region_gouge_34 block 0.00 0.1 0.0825 0.0850 -0.0005 0.0005 units box
+region region_gouge_35 block 0.00 0.1 0.0850 0.0875 -0.0005 0.0005 units box
+region region_gouge_36 block 0.00 0.1 0.0875 0.0900 -0.0005 0.0005 units box
+region region_gouge_37 block 0.00 0.1 0.0900 0.0925 -0.0005 0.0005 units box
+region region_gouge_38 block 0.00 0.1 0.0925 0.0950 -0.0005 0.0005 units box
+region region_gouge_39 block 0.00 0.1 0.0950 0.0975 -0.0005 0.0005 units box
+region region_gouge_40 block 0.00 0.1 0.0975 0.1000 -0.0005 0.0005 units box
+
+group nve_group region region_gouge_1
+group nve_group region region_gouge_2
+group nve_group region region_gouge_3
+group nve_group region region_gouge_4
+group nve_group region region_gouge_5
+group nve_group region region_gouge_6
+group nve_group region region_gouge_7
+group nve_group region region_gouge_8
+group nve_group region region_gouge_9
+group nve_group region region_gouge_10
+group nve_group region region_gouge_11
+group nve_group region region_gouge_12
+group nve_group region region_gouge_13
+group nve_group region region_gouge_14
+group nve_group region region_gouge_15
+group nve_group region region_gouge_16
+group nve_group region region_gouge_17
+group nve_group region region_gouge_18
+group nve_group region region_gouge_19
+group nve_group region region_gouge_20
+group nve_group region region_gouge_21
+group nve_group region region_gouge_22
+group nve_group region region_gouge_23
+group nve_group region region_gouge_24
+group nve_group region region_gouge_25
+group nve_group region region_gouge_26
+group nve_group region region_gouge_27
+group nve_group region region_gouge_28
+group nve_group region region_gouge_29
+group nve_group region region_gouge_30
+group nve_group region region_gouge_31
+group nve_group region region_gouge_32
+group nve_group region region_gouge_33
+group nve_group region region_gouge_34
+group nve_group region region_gouge_35
+group nve_group region region_gouge_36
+group nve_group region region_gouge_37
+group nve_group region region_gouge_38
+group nve_group region region_gouge_39
+group nve_group region region_gouge_40
+
+fix ins_1 nve_group pour 50000 1 263 region region_gouge_1 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_2 nve_group pour 50000 1 764 region region_gouge_2 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_3 nve_group pour 50000 1 144 region region_gouge_3 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_4 nve_group pour 50000 1 346 region region_gouge_4 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_5 nve_group pour 50000 1 624 region region_gouge_5 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_6 nve_group pour 50000 1 572 region region_gouge_6 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_7 nve_group pour 50000 1 881 region region_gouge_7 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_8 nve_group pour 50000 1 2 region region_gouge_8 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_9 nve_group pour 50000 1 897 region region_gouge_9 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_10 nve_group pour 50000 1 304 region region_gouge_10 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_11 nve_group pour 50000 1 254 region region_gouge_11 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_12 nve_group pour 50000 1 652 region region_gouge_12 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_13 nve_group pour 50000 1 453 region region_gouge_13 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_14 nve_group pour 50000 1 37 region region_gouge_14 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_15 nve_group pour 50000 1 160 region region_gouge_15 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_16 nve_group pour 50000 1 9 region region_gouge_16 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_17 nve_group pour 50000 1 233 region region_gouge_17 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_18 nve_group pour 50000 1 99 region region_gouge_18 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_19 nve_group pour 50000 1 659 region region_gouge_19 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_20 nve_group pour 50000 1 816 region region_gouge_20 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_21 nve_group pour 50000 1 208 region region_gouge_21 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_22 nve_group pour 50000 1 131 region region_gouge_22 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_23 nve_group pour 50000 1 404 region region_gouge_23 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_24 nve_group pour 50000 1 152 region region_gouge_24 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_25 nve_group pour 50000 1 54 region region_gouge_25 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_26 nve_group pour 50000 1 120 region region_gouge_26 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_27 nve_group pour 50000 1 673 region region_gouge_27 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_28 nve_group pour 50000 1 920 region region_gouge_28 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_29 nve_group pour 50000 1 628 region region_gouge_29 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_30 nve_group pour 50000 1 587 region region_gouge_30 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_31 nve_group pour 50000 1 625 region region_gouge_31 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_32 nve_group pour 50000 1 968 region region_gouge_32 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_33 nve_group pour 50000 1 420 region region_gouge_33 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_34 nve_group pour 50000 1 422 region region_gouge_34 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_35 nve_group pour 50000 1 104 region region_gouge_35 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_36 nve_group pour 50000 1 852 region region_gouge_36 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_37 nve_group pour 50000 1 254 region region_gouge_37 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_38 nve_group pour 50000 1 227 region region_gouge_38 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_39 nve_group pour 50000 1 112 region region_gouge_39 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_40 nve_group pour 50000 1 510 region region_gouge_40 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+
+run 1
+
+set group nve_group density/disc 2.5
+fix integr nve_group nve/sphere disc
+fix makeit2d all enforce2d
+
+thermo 1
+thermo_modify lost ignore norm no
+
+# Unfix particle insertion
+
+unfix ins_1
+unfix ins_2
+unfix ins_3
+unfix ins_4
+unfix ins_5
+unfix ins_6
+unfix ins_7
+unfix ins_8
+unfix ins_9
+unfix ins_10
+unfix ins_11
+unfix ins_12
+unfix ins_13
+unfix ins_14
+unfix ins_15
+unfix ins_16
+unfix ins_17
+unfix ins_18
+unfix ins_19
+unfix ins_20
+unfix ins_21
+unfix ins_22
+unfix ins_23
+unfix ins_24
+unfix ins_25
+unfix ins_26
+unfix ins_27
+unfix ins_28
+unfix ins_29
+unfix ins_30
+unfix ins_31
+unfix ins_32
+unfix ins_33
+unfix ins_34
+unfix ins_35
+unfix ins_36
+unfix ins_37
+unfix ins_38
+unfix ins_39
+unfix ins_40
+
+run 100 upto
+
+# Set gouge layer grain density
+set group all density/disc 2.5
+
+# Apply NVE integration to all particles
+fix integr all nve/sphere disc
+
+# Output settings
+compute 1 all erotate/sphere
+compute 2 all contact/atom
+compute 3 all ke
+
+variable Sxx equal pxx
+variable Syy equal pyy
+variable TotalPressure equal (v_Sxx+v_Syy)/2.0
+
+thermo_style custom step atoms ke pxx pyy v_TotalPressure ly
+thermo 50000
+thermo_modify lost ignore norm no
+
+set group all density/disc 2.5
+
+# Stop the confining pressure once the pressure is superior to the desired pressure
+fix condition all halt 1 v_Syy > ${confinement_pressure} error continue
+fix def all deform 1 x erate -50 y erate -50 z erate 0
+
+run 1500000
+unfix def
+unfix condition
+
+run 10000
+
+# Check if the pressure does not decrease
+label loopa
+variable a loop 1000
+ label loopb
+ variable P equal pyy
+ variable b loop 1000
+ if "${P} > ${confinement_pressure}" then "jump SELF break"
+ fix def all deform 1 x erate -10 y erate -10 z erate 0
+ run 1000
+ unfix def
+ run 10000
+ next b
+ jump SELF loopb
+ label break
+ variable b delete
+if "${P} > ${confinement_pressure}" then "jump SELF break2"
+next a
+jump SELF loopa
+label break2
+print "Over"
+
+restart 1000000 confined.restart confined2.restart
+
+run 1000000
+
+write_data box_confined.data
\ No newline at end of file
diff --git a/DATASET/P=100000Pa/2_shear.in b/DATASET/P=100000Pa/2_shear.in
new file mode 100644
index 0000000..1547629
--- /dev/null
+++ b/DATASET/P=100000Pa/2_shear.in
@@ -0,0 +1,36 @@
+read_restart confined.restart
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+
+fix 2 all deform 1 xy erate ${rate}
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+
+write_data box_sheared.data
+
diff --git a/DATASET/P=100000Pa/StrainStress.txt b/DATASET/P=100000Pa/StrainStress.txt
new file mode 100644
index 0000000..5cd84b3
--- /dev/null
+++ b/DATASET/P=100000Pa/StrainStress.txt
@@ -0,0 +1,999 @@
+# Fix print output for fix output_file
+2.26715360317226e-05 776.14714674738331723
+0.000122879725291979 557.75704738275180716
+0.000223087914552389 339.39911542049236459
+0.000323296103812646 121.07968845064198149
+0.000423504293072902 -97.203238917691365373
+0.000523712482333159 -315.48209024551681523
+0.000623920671593569 -533.73593312713262549
+0.000724128860853826 -751.99579595817169775
+0.000824337050114082 -970.27990259834564313
+0.000924545239374339 -1188.5998416387585621
+0.00102475342863475 -1406.9577596452088528
+0.00112496161789501 -1625.3349478185812131
+0.00122516980715526 -1843.7188599922892536
+0.00132537799641552 -2062.1011857169664836
+0.00142558618567593 -2280.4750545601150407
+0.00152579437493619 -2498.834276641633096
+0.00162600256419644 -2717.1729847979981969
+0.00172621075345685 -2935.4854117578593105
+0.00182641894271711 -3153.7657153338277567
+0.00192662713197737 -3372.0082713230713125
+0.00202683532123762 -3590.21489990506916
+0.00212704351049803 -3808.3753781700129366
+0.00222725169975829 -4026.4794459420968451
+0.00232745988901855 -4244.5219114427281966
+0.0024276680782788 -4462.4871210764968055
+0.00252787626753921 -4680.3374118721339983
+0.00262808445679947 -4898.0610698089394646
+0.00272829264605973 -5115.7013326284377399
+0.00282850083531998 -5333.3164947336435944
+0.00292870902458039 -5550.8900458523685302
+0.00302891721384065 -5768.4070998809193043
+0.00312912540310091 -5985.8604148867389085
+0.00322933359236116 -6203.2694976942630092
+0.00332954178162157 -6420.6063516789290588
+0.00342974997088183 -6637.8877303735316673
+0.00352995816014209 -6855.1439361644524979
+0.00363016634940234 -7072.3972633298999426
+0.00373037453866275 -7289.6447153729759521
+0.00383058272792301 -7506.8833452171475074
+0.00393079091718327 -7724.1102208792772217
+0.00403099910644352 -7941.322395060051349
+0.00413120729570393 -8158.5168753251055023
+0.00423141548496419 -8375.6905919714863558
+0.00433162367422445 -8592.8403602336857148
+0.00443183186348485 -8809.9628325850553665
+0.00453204005274511 -9027.0544340567321342
+0.00463224824200537 -9244.1112689320325444
+0.00473245643126563 -9461.1289762625892763
+0.00483266462052603 -9678.1039109159664804
+0.00493287280978629 -9895.0413027821832657
+0.00503308099904655 -10111.927755914635782
+0.00513328918830681 -10328.747441734662061
+0.00523349737756721 -10545.457950752970646
+0.00533370556682747 -10762.080862921568041
+0.00543391375608773 -10978.681231390426547
+0.00553412194534798 -11195.252365580194237
+0.00563433013460839 -11411.79897581946534
+0.00573453832386865 -11628.322010599669738
+0.00583474651312891 -11844.819310162978582
+0.00593495470238916 -12061.288714340898878
+0.00603516289164957 -12277.72805230801896
+0.00613537108090983 -12494.135133269261132
+0.00623557927017009 -12710.50773712445698
+0.00633578745943034 -12926.84360428006039
+0.00643599564869075 -13143.140423761791681
+0.00653620383795101 -13359.395818001727093
+0.00663641202721127 -13575.60732217419536
+0.00673662021647152 -13791.772353215346811
+0.00683682840573193 -14007.888158464453227
+0.00693703659499219 -14223.951716542638678
+0.00703724478425245 -14439.959494173968778
+0.0071374529735127 -14655.906415838433531
+0.00723766116277311 -14871.78493021156828
+0.00733786935203337 -15087.604657320920523
+0.00743807754129363 -15303.363546406446403
+0.00753828573055404 -15519.061596628433108
+0.00763849391981429 -15734.695101951841934
+0.00773870210907455 -15950.256782867063521
+0.00783891029833481 -16165.732132817225647
+0.00793911848759522 -16381.131526801413202
+0.00803932667685547 -16596.46466043304099
+0.00813953486611573 -16811.728444197990029
+0.00823974305537599 -17026.919592540489248
+0.0083399512446364 -17242.034457293968444
+0.00844015943389665 -17457.068091949153313
+0.00854036762315691 -17672.016680448254192
+0.00864057581241717 -17886.881719948181853
+0.00874078400167758 -18101.659327794495766
+0.00884099219093783 -18316.345265823187219
+0.00894120038019809 -18530.934817822744662
+0.00904140856945835 -18745.42257954904926
+0.00914161675871876 -18959.802024329281267
+0.00924182494797901 -19174.064674749304686
+0.00934203313723927 -19388.223270152760961
+0.00944224132649953 -19602.277752845508076
+0.00954244951575994 -19816.209085723225144
+0.00964265770502019 -20029.995389082741895
+0.00974286589428045 -20243.629122522885154
+0.00984307408354071 -20457.129399248187838
+0.00994328227280112 -20670.515355545911007
+0.0100434904620614 -20883.757525676148362
+0.0101436986513216 -21096.862462352142757
+0.010243906840582 -21309.908376426425093
+0.0103441150298423 -21522.884287934393797
+0.0104443232191026 -21735.783695970236295
+0.0105445314083628 -21948.600335214116058
+0.0106447395976232 -22161.327078738864657
+0.0107449477868835 -22373.951907960206881
+0.0108451559761437 -22586.467023372886615
+0.010945364165404 -22798.891010087812901
+0.0110455723546644 -23011.270291417287808
+0.0111457805439247 -23223.61063793631547
+0.0112459887331849 -23435.878568228337826
+0.0113461969224452 -23648.057249302510172
+0.0114464051117056 -23860.12903171848302
+0.0115466133009658 -24072.065209882959607
+0.0116468214902261 -24283.884302055161243
+0.0117470296794863 -24495.573058055171714
+0.0118472378687468 -24707.098179978129338
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diff --git a/DATASET/P=100000Pa/box_confined.data b/DATASET/P=100000Pa/box_confined.data
new file mode 100644
index 0000000..6e19a8b
--- /dev/null
+++ b/DATASET/P=100000Pa/box_confined.data
@@ -0,0 +1,494 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2255968
+
+240 atoms
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diff --git a/DATASET/P=100000Pa/box_confined.png b/DATASET/P=100000Pa/box_confined.png
new file mode 100644
index 0000000..63e8fb2
Binary files /dev/null and b/DATASET/P=100000Pa/box_confined.png differ
diff --git a/DATASET/P=100000Pa/box_sheared.data b/DATASET/P=100000Pa/box_sheared.data
new file mode 100644
index 0000000..dbc0fa3
--- /dev/null
+++ b/DATASET/P=100000Pa/box_sheared.data
@@ -0,0 +1,495 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2220541
+
+240 atoms
+6 atom types
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+0.027328463968258734 0.07267153603174126 ylo yhi
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+156 7.292182792710841 20.94214710775081 0 0 0 0
+157 19.411716983963544 -6.946514055162505 0 0 0 0
+167 -4.329229862459334 -4.318445900165733 0 0 0 0
+164 16.773832898879956 -15.877825198818979 0 0 0 0
+166 -16.76742834522209 -38.559313004138296 0 0 0 0
+161 -4.7430045417833835 16.040361941823257 0 0 0 0
+171 -10.2226730373271 -5.7168983866722485 0 0 0 0
+178 4.136217117375585 3.0764364397801853 0 0 0 0
+182 8.91075685659531 -2.085582457193197 0 0 0 0
+163 -32.81153375948268 -39.828388703618785 0 0 0 0
+185 -43.90376257560859 7.112449239652807 0 0 0 0
+173 23.179070184032092 -26.790868839435156 0 0 0 0
+181 35.080024246884 -4.862314021579032 0 0 0 0
+169 13.927130318369047 -13.902935146468883 0 0 0 0
+165 -26.19029491190395 29.752890950188263 0 0 0 0
+180 26.11703131429091 -23.003003552163335 0 0 0 0
+191 18.17225710490427 -11.76996707155695 0 0 0 0
+177 7.2293765456273515 -13.34072872799831 0 0 0 0
+196 0.737802019730277 7.805322648743418 0 0 0 0
+184 -19.32748359683184 -3.7510924644497226 0 0 0 0
+209 -2.150268738540938 15.348230519671253 0 0 0 0
+192 -26.6877692157029 4.596317852538534 0 0 0 0
+194 10.912750600176626 19.945695481863424 0 0 0 0
+197 17.709735874426027 48.929300488575045 0 0 0 0
+198 6.800644352312368 4.4219200084336965 0 0 0 0
+203 -4.1140065130567915 20.915048082863155 0 0 0 0
+190 -34.44111904478337 -42.30670754369824 0 0 0 0
+175 32.23490075762427 -30.383539207608532 0 0 0 0
+188 -13.490433512474501 6.043065751676371 0 0 0 0
+193 53.36778228463868 -17.351604278315946 0 0 0 0
+186 12.622228232671876 0.5863044434626422 0 0 0 0
+195 -14.164231398373415 47.06503566244455 0 0 0 0
+189 39.315599790201304 24.59264071105361 0 0 0 0
+211 -16.260211096198677 -3.668142255242575 0 0 0 0
+204 -4.390277620819918 12.037437070039505 0 0 0 0
+183 0.46347525174536996 15.340273129996094 0 0 0 0
+201 -22.670109219594945 15.618787657284924 0 0 0 0
+206 -8.540287088430443 -21.551975950738534 0 0 0 0
+202 10.873805720133452 -16.918414951937837 0 0 0 0
+200 15.874374724245113 -5.035396346767973 0 0 0 0
+205 3.1719820023705134 -34.214458319259634 0 0 0 0
+207 5.90121363675142 29.833937753237507 0 0 0 0
+215 -13.56692886713149 13.53249209100309 0 0 0 0
+219 7.789527876763254 34.34990976710828 0 0 0 0
+199 -16.72515298701208 -5.590645871042946 0 0 0 0
+213 1.937871912625357 16.11391061022742 0 0 0 0
+214 -25.201546706138974 -11.623027787957604 0 0 0 0
+218 -2.963126557525416 1.5308091536708703 0 0 0 0
+212 38.342278289154116 21.185394644067525 0 0 0 0
+228 -10.161872696851459 -15.905483633797626 0 0 0 0
+208 -30.79377966908165 -9.319807155345416 0 0 0 0
+210 7.890281151956033 -56.79871288056923 0 0 0 0
+225 -4.115776907663257 -20.791589967503732 0 0 0 0
+232 -22.037509832147272 23.12007880703884 0 0 0 0
+217 -13.494407345636818 -11.42646320948084 0 0 0 0
+220 46.64225626592804 -19.46258315738442 0 0 0 0
+216 -4.923985839457715 -29.855908393181277 0 0 0 0
+222 -7.16493637038886 21.066723993681777 0 0 0 0
+233 -0.3520687057315232 -11.202636641211782 0 0 0 0
+237 -4.683131959235189 0.8698195231300111 0 0 0 0
+234 8.986812128316092 20.357533143425727 0 0 0 0
+229 -9.233041706487397 36.375077316342995 0 0 0 0
+221 16.294944760075733 -10.509809282797313 0 0 0 0
+223 27.217476180485676 -7.993458331353561 0 0 0 0
+230 34.73185461287558 19.950293905131723 0 0 0 0
+227 -37.473881291838055 -5.634372300271326 0 0 0 0
+235 12.280681489888122 -7.766103382255839 0 0 0 0
+231 -7.274366752003667 -35.35874526985084 0 0 0 0
diff --git a/DATASET/P=100000Pa/box_sheared.png b/DATASET/P=100000Pa/box_sheared.png
new file mode 100644
index 0000000..fd4305b
Binary files /dev/null and b/DATASET/P=100000Pa/box_sheared.png differ
diff --git a/DATASET/P=100000Pa/confined.restart b/DATASET/P=100000Pa/confined.restart
new file mode 100644
index 0000000..dea1801
Binary files /dev/null and b/DATASET/P=100000Pa/confined.restart differ
diff --git a/DATASET/P=100000Pa/log.lammps b/DATASET/P=100000Pa/log.lammps
new file mode 100644
index 0000000..9a2934e
--- /dev/null
+++ b/DATASET/P=100000Pa/log.lammps
@@ -0,0 +1,148 @@
+LAMMPS (29 Sep 2021 - Update 3)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
+ using 1 OpenMP thread(s) per MPI task
+read_restart confined.restart
+Reading restart file ...
+ restart file = 29 Sep 2021, LAMMPS = 29 Sep 2021
+ restoring atom style sphere from restart
+ orthogonal box = (0.027328464 0.027328464 -0.00050000000) to (0.072671536 0.072671536 0.00050000000)
+ 1 by 1 by 1 MPI processor grid
+ restoring pair style gran/hertz/history from restart
+ 240 atoms
+ read_restart CPU = 0.001 seconds
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable nb_step equal 220541
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+variable print_freq equal 221
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+Changing box ...
+ triclinic box = (0.027328464 0.027328464 -0.00050000000) to (0.072671536 0.072671536 0.00050000000) with tilt (0.0000000 0.0000000 0.0000000)
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+timestep 0.01
+
+fix 2 all deform 1 xy erate ${rate}
+fix 2 all deform 1 xy erate 4.53430720634825e-05
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+fix output_file all print 221 "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+run 220541
+Resetting global fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+Resetting peratom fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+All restart file global fix info was re-assigned
+All restart file peratom fix info was re-assigned
+Neighbor list info ...
+ update every 1 steps, delay 10 steps, check yes
+ max neighbors/atom: 2000, page size: 100000
+ master list distance cutoff = 0.0045
+ ghost atom cutoff = 0.0045
+ binsize = 0.00225, bins = 21 21 1
+ 1 neighbor lists, perpetual/occasional/extra = 1 0 0
+ (1) pair gran/hertz/history, perpetual
+ attributes: half, newton on, size, history
+ pair build: half/size/bin/newton/tri
+ stencil: half/bin/2d/tri
+ bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.981 | 9.981 | 9.981 Mbytes
+Step Atoms Lx Xy Pxy v_eps v_nb_step
+ 2000000 240 0.045343072 0 824.57231 0 220541
+ 2005000 240 0.045343072 0.00010279971 -4113.3094 0.0022671536 220541
+ 2010000 240 0.045343072 0.00020559942 -9031.9656 0.0045343072 220541
+ 2015000 240 0.045343072 0.00030839913 -13931.618 0.0068014608 220541
+ 2020000 240 0.045343072 0.00041119884 -18803.636 0.0090686144 220541
+ 2025000 240 0.045343072 0.00051399855 -23625.98 0.011335768 220541
+ 2030000 240 0.045343072 0.00061679826 -28397.778 0.013602922 220541
+ 2035000 240 0.045343072 0.00071959796 -33131.376 0.015870075 220541
+ 2040000 240 0.045343072 0.00082239767 -37844.536 0.018137229 220541
+ 2045000 240 0.045343072 0.00092519738 -42532.462 0.020404382 220541
+ 2050000 240 0.045343072 0.0010279971 -47197.549 0.022671536 220541
+ 2055000 240 0.045343072 0.0011307968 -51839.039 0.02493869 220541
+ 2060000 240 0.045343072 0.0012335965 -56476.468 0.027205843 220541
+ 2065000 240 0.045343072 0.0013363962 -61124.811 0.029472997 220541
+ 2070000 240 0.045343072 0.0014391959 -65790.836 0.03174015 220541
+ 2075000 240 0.045343072 0.0015419956 -70463.182 0.034007304 220541
+ 2080000 240 0.045343072 0.0016447953 -75133.158 0.036274458 220541
+ 2085000 240 0.045343072 0.0017475951 -79800.967 0.038541611 220541
+ 2090000 240 0.045343072 0.0018503948 -84474.676 0.040808765 220541
+ 2095000 240 0.045343072 0.0019531945 -89150.095 0.043075918 220541
+ 2100000 240 0.045343072 0.0020559942 -93834.818 0.045343072 220541
+ 2105000 240 0.045343072 0.0021587939 -98539.685 0.047610226 220541
+ 2110000 240 0.045343072 0.0022615936 -103271.26 0.049877379 220541
+ 2115000 240 0.045343072 0.0023643933 -108029.49 0.052144533 220541
+ 2120000 240 0.045343072 0.002467193 -112803.08 0.054411686 220541
+ 2125000 240 0.045343072 0.0025699927 -117596.25 0.05667884 220541
+ 2130000 240 0.045343072 0.0026727924 -122409.29 0.058945994 220541
+ 2135000 240 0.045343072 0.0027755921 -127242.45 0.061213147 220541
+ 2140000 240 0.045343072 0.0028783919 -132095.85 0.063480301 220541
+ 2145000 240 0.045343072 0.0029811916 -136973.61 0.065747454 220541
+ 2150000 240 0.045343072 0.0030839913 -141872.8 0.068014608 220541
+ 2155000 240 0.045343072 0.003186791 -146792.56 0.070281762 220541
+ 2160000 240 0.045343072 0.0032895907 -151749.99 0.072548915 220541
+ 2165000 240 0.045343072 0.0033923904 -156746.08 0.074816069 220541
+ 2170000 240 0.045343072 0.0034951901 -161785.75 0.077083223 220541
+ 2175000 240 0.045343072 0.0035979898 -166863.61 0.079350376 220541
+ 2180000 240 0.045343072 0.0037007895 -171976.08 0.08161753 220541
+ 2185000 240 0.045343072 0.0038035892 -177120.45 0.083884683 220541
+ 2190000 240 0.045343072 0.0039063889 -182295.96 0.086151837 220541
+ 2195000 240 0.045343072 0.0040091887 -187503.04 0.088418991 220541
+ 2200000 240 0.045343072 0.0041119884 -192741.88 0.090686144 220541
+ 2205000 240 0.045343072 0.0042147881 -198014.78 0.092953298 220541
+ 2210000 240 0.045343072 0.0043175878 -203320.2 0.095220451 220541
+ 2215000 240 0.045343072 0.0044203875 -208655.62 0.097487605 220541
+ 2220000 240 0.045343072 0.0045231872 -214018.51 0.099754759 220541
+ 2220541 240 0.045343072 0.0045343101 -214600.38 0.10000006 220541
+Loop time of 4.85787 on 1 procs for 220541 steps with 240 atoms
+
+99.4% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 3.6202 | 3.6202 | 3.6202 | 0.0 | 74.52
+Neigh | 0.00074697 | 0.00074697 | 0.00074697 | 0.0 | 0.02
+Comm | 0.46946 | 0.46946 | 0.46946 | 0.0 | 9.66
+Output | 0.0058987 | 0.0058987 | 0.0058987 | 0.0 | 0.12
+Modify | 0.5623 | 0.5623 | 0.5623 | 0.0 | 11.58
+Other | | 0.1992 | | | 4.10
+
+Nlocal: 240.000 ave 240 max 240 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost: 105.000 ave 105 max 105 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs: 690.000 ave 690 max 690 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 690
+Ave neighs/atom = 2.8750000
+Neighbor list builds = 18
+Dangerous builds = 0
+
+write_data box_sheared.data
+System init for write_data ...
+
+Total wall time: 0:00:04
diff --git a/DATASET/P=10000Pa/1_generate_conf_10000Pa.in b/DATASET/P=10000Pa/1_generate_conf_10000Pa.in
new file mode 100644
index 0000000..22e27e7
--- /dev/null
+++ b/DATASET/P=10000Pa/1_generate_conf_10000Pa.in
@@ -0,0 +1,265 @@
+atom_style sphere
+atom_modify map array
+dimension 2
+boundary p p p
+newton off
+comm_modify vel yes
+units si
+
+region reg block 0.0 0.1 0 0.1 -0.0005 0.0005 units box
+variable confinement_pressure equal 10000
+
+# How many grain/atom types
+create_box 6 reg
+
+# Size of bins for more efficiently searching for grain contacts.
+neighbor 0.001 bin
+
+# Reconstruct the neighbor list without any delay, every time-step
+neigh_modify delay 0
+
+# Glass marbles, tangential force
+pair_style gran/hertz/history 36630036630.0 0.0 0.2 NULL 0.0 0
+
+pair_coeff * *
+
+timestep 1e-8
+
+fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
+
+# Particle insertion in regions
+
+region region_gouge_1 block 0.00 0.1 0.0000 0.0025 -0.0005 0.0005 units box
+region region_gouge_2 block 0.00 0.1 0.0025 0.0050 -0.0005 0.0005 units box
+region region_gouge_3 block 0.00 0.1 0.0050 0.0075 -0.0005 0.0005 units box
+region region_gouge_4 block 0.00 0.1 0.0075 0.0100 -0.0005 0.0005 units box
+region region_gouge_5 block 0.00 0.1 0.0100 0.0125 -0.0005 0.0005 units box
+region region_gouge_6 block 0.00 0.1 0.0125 0.0150 -0.0005 0.0005 units box
+region region_gouge_7 block 0.00 0.1 0.0150 0.0175 -0.0005 0.0005 units box
+region region_gouge_8 block 0.00 0.1 0.0175 0.0200 -0.0005 0.0005 units box
+region region_gouge_9 block 0.00 0.1 0.0200 0.0225 -0.0005 0.0005 units box
+region region_gouge_10 block 0.00 0.1 0.0225 0.0250 -0.0005 0.0005 units box
+region region_gouge_11 block 0.00 0.1 0.0250 0.0275 -0.0005 0.0005 units box
+region region_gouge_12 block 0.00 0.1 0.0275 0.0300 -0.0005 0.0005 units box
+region region_gouge_13 block 0.00 0.1 0.0300 0.0325 -0.0005 0.0005 units box
+region region_gouge_14 block 0.00 0.1 0.0325 0.0350 -0.0005 0.0005 units box
+region region_gouge_15 block 0.00 0.1 0.0350 0.0375 -0.0005 0.0005 units box
+region region_gouge_16 block 0.00 0.1 0.0375 0.0400 -0.0005 0.0005 units box
+region region_gouge_17 block 0.00 0.1 0.0400 0.0425 -0.0005 0.0005 units box
+region region_gouge_18 block 0.00 0.1 0.0425 0.0450 -0.0005 0.0005 units box
+region region_gouge_19 block 0.00 0.1 0.0450 0.0475 -0.0005 0.0005 units box
+region region_gouge_20 block 0.00 0.1 0.0475 0.0500 -0.0005 0.0005 units box
+region region_gouge_21 block 0.00 0.1 0.0500 0.0525 -0.0005 0.0005 units box
+region region_gouge_22 block 0.00 0.1 0.0525 0.0550 -0.0005 0.0005 units box
+region region_gouge_23 block 0.00 0.1 0.0550 0.0575 -0.0005 0.0005 units box
+region region_gouge_24 block 0.00 0.1 0.0575 0.0600 -0.0005 0.0005 units box
+region region_gouge_25 block 0.00 0.1 0.0600 0.0625 -0.0005 0.0005 units box
+region region_gouge_26 block 0.00 0.1 0.0625 0.0650 -0.0005 0.0005 units box
+region region_gouge_27 block 0.00 0.1 0.0650 0.0675 -0.0005 0.0005 units box
+region region_gouge_28 block 0.00 0.1 0.0675 0.0700 -0.0005 0.0005 units box
+region region_gouge_29 block 0.00 0.1 0.0700 0.0725 -0.0005 0.0005 units box
+region region_gouge_30 block 0.00 0.1 0.0725 0.0750 -0.0005 0.0005 units box
+region region_gouge_31 block 0.00 0.1 0.0750 0.0775 -0.0005 0.0005 units box
+region region_gouge_32 block 0.00 0.1 0.0775 0.0800 -0.0005 0.0005 units box
+region region_gouge_33 block 0.00 0.1 0.0800 0.0825 -0.0005 0.0005 units box
+region region_gouge_34 block 0.00 0.1 0.0825 0.0850 -0.0005 0.0005 units box
+region region_gouge_35 block 0.00 0.1 0.0850 0.0875 -0.0005 0.0005 units box
+region region_gouge_36 block 0.00 0.1 0.0875 0.0900 -0.0005 0.0005 units box
+region region_gouge_37 block 0.00 0.1 0.0900 0.0925 -0.0005 0.0005 units box
+region region_gouge_38 block 0.00 0.1 0.0925 0.0950 -0.0005 0.0005 units box
+region region_gouge_39 block 0.00 0.1 0.0950 0.0975 -0.0005 0.0005 units box
+region region_gouge_40 block 0.00 0.1 0.0975 0.1000 -0.0005 0.0005 units box
+
+group nve_group region region_gouge_1
+group nve_group region region_gouge_2
+group nve_group region region_gouge_3
+group nve_group region region_gouge_4
+group nve_group region region_gouge_5
+group nve_group region region_gouge_6
+group nve_group region region_gouge_7
+group nve_group region region_gouge_8
+group nve_group region region_gouge_9
+group nve_group region region_gouge_10
+group nve_group region region_gouge_11
+group nve_group region region_gouge_12
+group nve_group region region_gouge_13
+group nve_group region region_gouge_14
+group nve_group region region_gouge_15
+group nve_group region region_gouge_16
+group nve_group region region_gouge_17
+group nve_group region region_gouge_18
+group nve_group region region_gouge_19
+group nve_group region region_gouge_20
+group nve_group region region_gouge_21
+group nve_group region region_gouge_22
+group nve_group region region_gouge_23
+group nve_group region region_gouge_24
+group nve_group region region_gouge_25
+group nve_group region region_gouge_26
+group nve_group region region_gouge_27
+group nve_group region region_gouge_28
+group nve_group region region_gouge_29
+group nve_group region region_gouge_30
+group nve_group region region_gouge_31
+group nve_group region region_gouge_32
+group nve_group region region_gouge_33
+group nve_group region region_gouge_34
+group nve_group region region_gouge_35
+group nve_group region region_gouge_36
+group nve_group region region_gouge_37
+group nve_group region region_gouge_38
+group nve_group region region_gouge_39
+group nve_group region region_gouge_40
+
+fix ins_1 nve_group pour 50000 1 103 region region_gouge_1 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_2 nve_group pour 50000 1 436 region region_gouge_2 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_3 nve_group pour 50000 1 861 region region_gouge_3 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_4 nve_group pour 50000 1 271 region region_gouge_4 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_5 nve_group pour 50000 1 107 region region_gouge_5 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_6 nve_group pour 50000 1 72 region region_gouge_6 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_7 nve_group pour 50000 1 701 region region_gouge_7 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_8 nve_group pour 50000 1 21 region region_gouge_8 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_9 nve_group pour 50000 1 615 region region_gouge_9 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_10 nve_group pour 50000 1 122 region region_gouge_10 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_11 nve_group pour 50000 1 467 region region_gouge_11 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_12 nve_group pour 50000 1 215 region region_gouge_12 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_13 nve_group pour 50000 1 331 region region_gouge_13 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_14 nve_group pour 50000 1 459 region region_gouge_14 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_15 nve_group pour 50000 1 88 region region_gouge_15 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_16 nve_group pour 50000 1 373 region region_gouge_16 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_17 nve_group pour 50000 1 100 region region_gouge_17 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_18 nve_group pour 50000 1 872 region region_gouge_18 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_19 nve_group pour 50000 1 664 region region_gouge_19 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_20 nve_group pour 50000 1 131 region region_gouge_20 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_21 nve_group pour 50000 1 662 region region_gouge_21 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_22 nve_group pour 50000 1 309 region region_gouge_22 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_23 nve_group pour 50000 1 770 region region_gouge_23 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_24 nve_group pour 50000 1 344 region region_gouge_24 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_25 nve_group pour 50000 1 492 region region_gouge_25 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_26 nve_group pour 50000 1 414 region region_gouge_26 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_27 nve_group pour 50000 1 806 region region_gouge_27 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_28 nve_group pour 50000 1 386 region region_gouge_28 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_29 nve_group pour 50000 1 192 region region_gouge_29 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_30 nve_group pour 50000 1 956 region region_gouge_30 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_31 nve_group pour 50000 1 277 region region_gouge_31 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_32 nve_group pour 50000 1 161 region region_gouge_32 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_33 nve_group pour 50000 1 460 region region_gouge_33 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_34 nve_group pour 50000 1 314 region region_gouge_34 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_35 nve_group pour 50000 1 22 region region_gouge_35 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_36 nve_group pour 50000 1 253 region region_gouge_36 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_37 nve_group pour 50000 1 748 region region_gouge_37 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_38 nve_group pour 50000 1 857 region region_gouge_38 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_39 nve_group pour 50000 1 561 region region_gouge_39 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_40 nve_group pour 50000 1 475 region region_gouge_40 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+
+run 1
+
+set group nve_group density/disc 2.5
+fix integr nve_group nve/sphere disc
+fix makeit2d all enforce2d
+
+thermo 1
+thermo_modify lost ignore norm no
+
+# Unfix particle insertion
+
+unfix ins_1
+unfix ins_2
+unfix ins_3
+unfix ins_4
+unfix ins_5
+unfix ins_6
+unfix ins_7
+unfix ins_8
+unfix ins_9
+unfix ins_10
+unfix ins_11
+unfix ins_12
+unfix ins_13
+unfix ins_14
+unfix ins_15
+unfix ins_16
+unfix ins_17
+unfix ins_18
+unfix ins_19
+unfix ins_20
+unfix ins_21
+unfix ins_22
+unfix ins_23
+unfix ins_24
+unfix ins_25
+unfix ins_26
+unfix ins_27
+unfix ins_28
+unfix ins_29
+unfix ins_30
+unfix ins_31
+unfix ins_32
+unfix ins_33
+unfix ins_34
+unfix ins_35
+unfix ins_36
+unfix ins_37
+unfix ins_38
+unfix ins_39
+unfix ins_40
+
+run 100 upto
+
+# Set gouge layer grain density
+set group all density/disc 2.5
+
+# Apply NVE integration to all particles
+fix integr all nve/sphere disc
+
+# Output settings
+compute 1 all erotate/sphere
+compute 2 all contact/atom
+compute 3 all ke
+
+variable Sxx equal pxx
+variable Syy equal pyy
+variable TotalPressure equal (v_Sxx+v_Syy)/2.0
+
+thermo_style custom step atoms ke pxx pyy v_TotalPressure ly
+thermo 50000
+thermo_modify lost ignore norm no
+
+set group all density/disc 2.5
+
+# Stop the confining pressure once the pressure is superior to the desired pressure
+fix condition all halt 1 v_Syy > ${confinement_pressure} error continue
+fix def all deform 1 x erate -50 y erate -50 z erate 0
+
+run 1500000
+unfix def
+unfix condition
+
+run 10000
+
+# Check if the pressure does not decrease
+label loopa
+variable a loop 1000
+ label loopb
+ variable P equal pyy
+ variable b loop 1000
+ if "${P} > ${confinement_pressure}" then "jump SELF break"
+ fix def all deform 1 x erate -10 y erate -10 z erate 0
+ run 1000
+ unfix def
+ run 10000
+ next b
+ jump SELF loopb
+ label break
+ variable b delete
+if "${P} > ${confinement_pressure}" then "jump SELF break2"
+next a
+jump SELF loopa
+label break2
+print "Over"
+
+restart 1000000 confined.restart confined2.restart
+
+run 1000000
+
+write_data box_confined.data
\ No newline at end of file
diff --git a/DATASET/P=10000Pa/2_shear.in b/DATASET/P=10000Pa/2_shear.in
new file mode 100644
index 0000000..1547629
--- /dev/null
+++ b/DATASET/P=10000Pa/2_shear.in
@@ -0,0 +1,36 @@
+read_restart confined.restart
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+
+fix 2 all deform 1 xy erate ${rate}
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+
+write_data box_sheared.data
+
diff --git a/DATASET/P=10000Pa/StrainStress.txt b/DATASET/P=10000Pa/StrainStress.txt
new file mode 100644
index 0000000..60da375
--- /dev/null
+++ b/DATASET/P=10000Pa/StrainStress.txt
@@ -0,0 +1,1003 @@
+# Fix print output for fix output_file
+4.09476159693576e-05 214.27766295821788844
+0.000140786185242997 178.77913146039466596
+0.000240624754516486 143.24583198813650142
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+0.000639979031610893 0.7958864415876596432
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diff --git a/DATASET/P=10000Pa/box_confined.data b/DATASET/P=10000Pa/box_confined.data
new file mode 100644
index 0000000..bf7dd47
--- /dev/null
+++ b/DATASET/P=10000Pa/box_confined.data
@@ -0,0 +1,494 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2515333
+
+240 atoms
+6 atom types
+
+0.02699572136553111 0.07300427863446894 xlo xhi
+0.02699572136553111 0.07300427863446894 ylo yhi
+-0.0005 0.0005 zlo zhi
+
+Atoms # sphere
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diff --git a/DATASET/P=10000Pa/box_confined.png b/DATASET/P=10000Pa/box_confined.png
new file mode 100644
index 0000000..73c58c6
Binary files /dev/null and b/DATASET/P=10000Pa/box_confined.png differ
diff --git a/DATASET/P=10000Pa/box_sheared.data b/DATASET/P=10000Pa/box_sheared.data
new file mode 100644
index 0000000..ab39627
--- /dev/null
+++ b/DATASET/P=10000Pa/box_sheared.data
@@ -0,0 +1,495 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2217351
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diff --git a/DATASET/P=10000Pa/box_sheared.png b/DATASET/P=10000Pa/box_sheared.png
new file mode 100644
index 0000000..66ddb16
Binary files /dev/null and b/DATASET/P=10000Pa/box_sheared.png differ
diff --git a/DATASET/P=10000Pa/confined.restart b/DATASET/P=10000Pa/confined.restart
new file mode 100644
index 0000000..0a46bb4
Binary files /dev/null and b/DATASET/P=10000Pa/confined.restart differ
diff --git a/DATASET/P=10000Pa/log.lammps b/DATASET/P=10000Pa/log.lammps
new file mode 100644
index 0000000..774d9fe
--- /dev/null
+++ b/DATASET/P=10000Pa/log.lammps
@@ -0,0 +1,147 @@
+LAMMPS (29 Sep 2021 - Update 3)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
+ using 1 OpenMP thread(s) per MPI task
+read_restart confined.restart
+Reading restart file ...
+ restart file = 29 Sep 2021, LAMMPS = 29 Sep 2021
+ restoring atom style sphere from restart
+ orthogonal box = (0.026995721 0.026995721 -0.00050000000) to (0.073004279 0.073004279 0.00050000000)
+ 1 by 1 by 1 MPI processor grid
+ restoring pair style gran/hertz/history from restart
+ 240 atoms
+ read_restart CPU = 0.007 seconds
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable nb_step equal 217351
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+variable print_freq equal 217
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+Changing box ...
+ triclinic box = (0.026995721 0.026995721 -0.00050000000) to (0.073004279 0.073004279 0.00050000000) with tilt (0.0000000 0.0000000 0.0000000)
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+timestep 0.01
+
+fix 2 all deform 1 xy erate ${rate}
+fix 2 all deform 1 xy erate 4.60085572689378e-05
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+fix output_file all print 217 "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+run 217351
+Resetting global fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+Resetting peratom fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+All restart file global fix info was re-assigned
+All restart file peratom fix info was re-assigned
+Neighbor list info ...
+ update every 1 steps, delay 10 steps, check yes
+ max neighbors/atom: 2000, page size: 100000
+ master list distance cutoff = 0.0045
+ ghost atom cutoff = 0.0045
+ binsize = 0.00225, bins = 21 21 1
+ 1 neighbor lists, perpetual/occasional/extra = 1 0 0
+ (1) pair gran/hertz/history, perpetual
+ attributes: half, newton on, size, history
+ pair build: half/size/bin/newton/tri
+ stencil: half/bin/2d/tri
+ bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.981 | 9.981 | 9.981 Mbytes
+Step Atoms Lx Xy Pxy v_eps v_nb_step
+ 2000000 240 0.046008557 0 228.65581 0 217351
+ 2005000 240 0.046008557 0.00010583937 -601.75189 0.0023004279 217351
+ 2010000 240 0.046008557 0.00021167873 -1456.4082 0.0046008557 217351
+ 2015000 240 0.046008557 0.0003175181 -2324.7613 0.0069012836 217351
+ 2020000 240 0.046008557 0.00042335747 -3223.1859 0.0092017115 217351
+ 2025000 240 0.046008557 0.00052919684 -4154.529 0.011502139 217351
+ 2030000 240 0.046008557 0.0006350362 -5113.4653 0.013802567 217351
+ 2035000 240 0.046008557 0.00074087557 -6090.553 0.016102995 217351
+ 2040000 240 0.046008557 0.00084671494 -7102.3478 0.018403423 217351
+ 2045000 240 0.046008557 0.0009525543 -8163.7416 0.020703851 217351
+ 2050000 240 0.046008557 0.0010583937 -9278.0357 0.023004279 217351
+ 2055000 240 0.046008557 0.001164233 -10443.693 0.025304706 217351
+ 2060000 240 0.046008557 0.0012700724 -11662.506 0.027605134 217351
+ 2065000 240 0.046008557 0.0013759118 -12934.567 0.029905562 217351
+ 2070000 240 0.046008557 0.0014817511 -14277.052 0.03220599 217351
+ 2075000 240 0.046008557 0.0015875905 -15693.992 0.034506418 217351
+ 2080000 240 0.046008557 0.0016934299 -17175.851 0.036806846 217351
+ 2085000 240 0.046008557 0.0017992692 -18728.83 0.039107274 217351
+ 2090000 240 0.046008557 0.0019051086 -20352.752 0.041407702 217351
+ 2095000 240 0.046008557 0.002010948 -22045.703 0.043708129 217351
+ 2100000 240 0.046008557 0.0021167873 -23808.58 0.046008557 217351
+ 2105000 240 0.046008557 0.0022226267 -25641.944 0.048308985 217351
+ 2110000 240 0.046008557 0.0023284661 -27542.772 0.050609413 217351
+ 2115000 240 0.046008557 0.0024343054 -29513.052 0.052909841 217351
+ 2120000 240 0.046008557 0.0025401448 -31544.555 0.055210269 217351
+ 2125000 240 0.046008557 0.0026459842 -33640.808 0.057510697 217351
+ 2130000 240 0.046008557 0.0027518235 -35808.735 0.059811124 217351
+ 2135000 240 0.046008557 0.0028576629 -38048.64 0.062111552 217351
+ 2140000 240 0.046008557 0.0029635023 -40364.748 0.06441198 217351
+ 2145000 240 0.046008557 0.0030693416 -42752.741 0.066712408 217351
+ 2150000 240 0.046008557 0.003175181 -45211.244 0.069012836 217351
+ 2155000 240 0.046008557 0.0032810204 -47739.431 0.071313264 217351
+ 2160000 240 0.046008557 0.0033868597 -50329.121 0.073613692 217351
+ 2165000 240 0.046008557 0.0034926991 -52979.589 0.075914119 217351
+ 2170000 240 0.046008557 0.0035985385 -55690.845 0.078214547 217351
+ 2175000 240 0.046008557 0.0037043778 -58458.472 0.080514975 217351
+ 2180000 240 0.046008557 0.0038102172 -61282.555 0.082815403 217351
+ 2185000 240 0.046008557 0.0039160566 -64165.789 0.085115831 217351
+ 2190000 240 0.046008557 0.0040218959 -67109.591 0.087416259 217351
+ 2195000 240 0.046008557 0.0041277353 -70109.58 0.089716687 217351
+ 2200000 240 0.046008557 0.0042335747 -73169.104 0.092017115 217351
+ 2205000 240 0.046008557 0.0043394141 -76288.44 0.094317542 217351
+ 2210000 240 0.046008557 0.0044452534 -79461.004 0.09661797 217351
+ 2215000 240 0.046008557 0.0045510928 -82681.942 0.098918398 217351
+ 2217351 240 0.046008557 0.0046008585 -84213.512 0.10000006 217351
+Loop time of 3.04082 on 1 procs for 217351 steps with 240 atoms
+
+100.2% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 1.8437 | 1.8437 | 1.8437 | 0.0 | 60.63
+Neigh | 0.00070977 | 0.00070977 | 0.00070977 | 0.0 | 0.02
+Comm | 0.44936 | 0.44936 | 0.44936 | 0.0 | 14.78
+Output | 0.0061102 | 0.0061102 | 0.0061102 | 0.0 | 0.20
+Modify | 0.54646 | 0.54646 | 0.54646 | 0.0 | 17.97
+Other | | 0.1944 | | | 6.39
+
+Nlocal: 240.000 ave 240 max 240 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost: 101.000 ave 101 max 101 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs: 691.000 ave 691 max 691 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 691
+Ave neighs/atom = 2.8791667
+Neighbor list builds = 18
+Dangerous builds = 0
+
+write_data box_sheared.data
+System init for write_data ...
+
+Total wall time: 0:00:03
diff --git a/DATASET/P=110000Pa/1_generate_conf_110000Pa.in b/DATASET/P=110000Pa/1_generate_conf_110000Pa.in
new file mode 100644
index 0000000..6ed0c2d
--- /dev/null
+++ b/DATASET/P=110000Pa/1_generate_conf_110000Pa.in
@@ -0,0 +1,265 @@
+atom_style sphere
+atom_modify map array
+dimension 2
+boundary p p p
+newton off
+comm_modify vel yes
+units si
+
+region reg block 0.0 0.1 0 0.1 -0.0005 0.0005 units box
+variable confinement_pressure equal 110000
+
+# How many grain/atom types
+create_box 6 reg
+
+# Size of bins for more efficiently searching for grain contacts.
+neighbor 0.001 bin
+
+# Reconstruct the neighbor list without any delay, every time-step
+neigh_modify delay 0
+
+# Glass marbles, tangential force
+pair_style gran/hertz/history 36630036630.0 0.0 0.2 NULL 0.0 0
+
+pair_coeff * *
+
+timestep 1e-8
+
+fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
+
+# Particle insertion in regions
+
+region region_gouge_1 block 0.00 0.1 0.0000 0.0025 -0.0005 0.0005 units box
+region region_gouge_2 block 0.00 0.1 0.0025 0.0050 -0.0005 0.0005 units box
+region region_gouge_3 block 0.00 0.1 0.0050 0.0075 -0.0005 0.0005 units box
+region region_gouge_4 block 0.00 0.1 0.0075 0.0100 -0.0005 0.0005 units box
+region region_gouge_5 block 0.00 0.1 0.0100 0.0125 -0.0005 0.0005 units box
+region region_gouge_6 block 0.00 0.1 0.0125 0.0150 -0.0005 0.0005 units box
+region region_gouge_7 block 0.00 0.1 0.0150 0.0175 -0.0005 0.0005 units box
+region region_gouge_8 block 0.00 0.1 0.0175 0.0200 -0.0005 0.0005 units box
+region region_gouge_9 block 0.00 0.1 0.0200 0.0225 -0.0005 0.0005 units box
+region region_gouge_10 block 0.00 0.1 0.0225 0.0250 -0.0005 0.0005 units box
+region region_gouge_11 block 0.00 0.1 0.0250 0.0275 -0.0005 0.0005 units box
+region region_gouge_12 block 0.00 0.1 0.0275 0.0300 -0.0005 0.0005 units box
+region region_gouge_13 block 0.00 0.1 0.0300 0.0325 -0.0005 0.0005 units box
+region region_gouge_14 block 0.00 0.1 0.0325 0.0350 -0.0005 0.0005 units box
+region region_gouge_15 block 0.00 0.1 0.0350 0.0375 -0.0005 0.0005 units box
+region region_gouge_16 block 0.00 0.1 0.0375 0.0400 -0.0005 0.0005 units box
+region region_gouge_17 block 0.00 0.1 0.0400 0.0425 -0.0005 0.0005 units box
+region region_gouge_18 block 0.00 0.1 0.0425 0.0450 -0.0005 0.0005 units box
+region region_gouge_19 block 0.00 0.1 0.0450 0.0475 -0.0005 0.0005 units box
+region region_gouge_20 block 0.00 0.1 0.0475 0.0500 -0.0005 0.0005 units box
+region region_gouge_21 block 0.00 0.1 0.0500 0.0525 -0.0005 0.0005 units box
+region region_gouge_22 block 0.00 0.1 0.0525 0.0550 -0.0005 0.0005 units box
+region region_gouge_23 block 0.00 0.1 0.0550 0.0575 -0.0005 0.0005 units box
+region region_gouge_24 block 0.00 0.1 0.0575 0.0600 -0.0005 0.0005 units box
+region region_gouge_25 block 0.00 0.1 0.0600 0.0625 -0.0005 0.0005 units box
+region region_gouge_26 block 0.00 0.1 0.0625 0.0650 -0.0005 0.0005 units box
+region region_gouge_27 block 0.00 0.1 0.0650 0.0675 -0.0005 0.0005 units box
+region region_gouge_28 block 0.00 0.1 0.0675 0.0700 -0.0005 0.0005 units box
+region region_gouge_29 block 0.00 0.1 0.0700 0.0725 -0.0005 0.0005 units box
+region region_gouge_30 block 0.00 0.1 0.0725 0.0750 -0.0005 0.0005 units box
+region region_gouge_31 block 0.00 0.1 0.0750 0.0775 -0.0005 0.0005 units box
+region region_gouge_32 block 0.00 0.1 0.0775 0.0800 -0.0005 0.0005 units box
+region region_gouge_33 block 0.00 0.1 0.0800 0.0825 -0.0005 0.0005 units box
+region region_gouge_34 block 0.00 0.1 0.0825 0.0850 -0.0005 0.0005 units box
+region region_gouge_35 block 0.00 0.1 0.0850 0.0875 -0.0005 0.0005 units box
+region region_gouge_36 block 0.00 0.1 0.0875 0.0900 -0.0005 0.0005 units box
+region region_gouge_37 block 0.00 0.1 0.0900 0.0925 -0.0005 0.0005 units box
+region region_gouge_38 block 0.00 0.1 0.0925 0.0950 -0.0005 0.0005 units box
+region region_gouge_39 block 0.00 0.1 0.0950 0.0975 -0.0005 0.0005 units box
+region region_gouge_40 block 0.00 0.1 0.0975 0.1000 -0.0005 0.0005 units box
+
+group nve_group region region_gouge_1
+group nve_group region region_gouge_2
+group nve_group region region_gouge_3
+group nve_group region region_gouge_4
+group nve_group region region_gouge_5
+group nve_group region region_gouge_6
+group nve_group region region_gouge_7
+group nve_group region region_gouge_8
+group nve_group region region_gouge_9
+group nve_group region region_gouge_10
+group nve_group region region_gouge_11
+group nve_group region region_gouge_12
+group nve_group region region_gouge_13
+group nve_group region region_gouge_14
+group nve_group region region_gouge_15
+group nve_group region region_gouge_16
+group nve_group region region_gouge_17
+group nve_group region region_gouge_18
+group nve_group region region_gouge_19
+group nve_group region region_gouge_20
+group nve_group region region_gouge_21
+group nve_group region region_gouge_22
+group nve_group region region_gouge_23
+group nve_group region region_gouge_24
+group nve_group region region_gouge_25
+group nve_group region region_gouge_26
+group nve_group region region_gouge_27
+group nve_group region region_gouge_28
+group nve_group region region_gouge_29
+group nve_group region region_gouge_30
+group nve_group region region_gouge_31
+group nve_group region region_gouge_32
+group nve_group region region_gouge_33
+group nve_group region region_gouge_34
+group nve_group region region_gouge_35
+group nve_group region region_gouge_36
+group nve_group region region_gouge_37
+group nve_group region region_gouge_38
+group nve_group region region_gouge_39
+group nve_group region region_gouge_40
+
+fix ins_1 nve_group pour 50000 1 473 region region_gouge_1 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_2 nve_group pour 50000 1 99 region region_gouge_2 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_3 nve_group pour 50000 1 153 region region_gouge_3 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_4 nve_group pour 50000 1 861 region region_gouge_4 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_5 nve_group pour 50000 1 914 region region_gouge_5 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_6 nve_group pour 50000 1 896 region region_gouge_6 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_7 nve_group pour 50000 1 878 region region_gouge_7 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_8 nve_group pour 50000 1 338 region region_gouge_8 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_9 nve_group pour 50000 1 706 region region_gouge_9 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_10 nve_group pour 50000 1 822 region region_gouge_10 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_11 nve_group pour 50000 1 163 region region_gouge_11 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_12 nve_group pour 50000 1 720 region region_gouge_12 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_13 nve_group pour 50000 1 957 region region_gouge_13 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_14 nve_group pour 50000 1 681 region region_gouge_14 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_15 nve_group pour 50000 1 996 region region_gouge_15 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_16 nve_group pour 50000 1 161 region region_gouge_16 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_17 nve_group pour 50000 1 580 region region_gouge_17 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_18 nve_group pour 50000 1 801 region region_gouge_18 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_19 nve_group pour 50000 1 398 region region_gouge_19 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_20 nve_group pour 50000 1 277 region region_gouge_20 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_21 nve_group pour 50000 1 816 region region_gouge_21 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_22 nve_group pour 50000 1 916 region region_gouge_22 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_23 nve_group pour 50000 1 504 region region_gouge_23 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_24 nve_group pour 50000 1 896 region region_gouge_24 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_25 nve_group pour 50000 1 392 region region_gouge_25 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_26 nve_group pour 50000 1 135 region region_gouge_26 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_27 nve_group pour 50000 1 195 region region_gouge_27 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_28 nve_group pour 50000 1 401 region region_gouge_28 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_29 nve_group pour 50000 1 640 region region_gouge_29 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_30 nve_group pour 50000 1 33 region region_gouge_30 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_31 nve_group pour 50000 1 688 region region_gouge_31 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_32 nve_group pour 50000 1 460 region region_gouge_32 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_33 nve_group pour 50000 1 955 region region_gouge_33 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_34 nve_group pour 50000 1 883 region region_gouge_34 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_35 nve_group pour 50000 1 470 region region_gouge_35 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_36 nve_group pour 50000 1 375 region region_gouge_36 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_37 nve_group pour 50000 1 22 region region_gouge_37 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_38 nve_group pour 50000 1 750 region region_gouge_38 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_39 nve_group pour 50000 1 670 region region_gouge_39 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_40 nve_group pour 50000 1 38 region region_gouge_40 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+
+run 1
+
+set group nve_group density/disc 2.5
+fix integr nve_group nve/sphere disc
+fix makeit2d all enforce2d
+
+thermo 1
+thermo_modify lost ignore norm no
+
+# Unfix particle insertion
+
+unfix ins_1
+unfix ins_2
+unfix ins_3
+unfix ins_4
+unfix ins_5
+unfix ins_6
+unfix ins_7
+unfix ins_8
+unfix ins_9
+unfix ins_10
+unfix ins_11
+unfix ins_12
+unfix ins_13
+unfix ins_14
+unfix ins_15
+unfix ins_16
+unfix ins_17
+unfix ins_18
+unfix ins_19
+unfix ins_20
+unfix ins_21
+unfix ins_22
+unfix ins_23
+unfix ins_24
+unfix ins_25
+unfix ins_26
+unfix ins_27
+unfix ins_28
+unfix ins_29
+unfix ins_30
+unfix ins_31
+unfix ins_32
+unfix ins_33
+unfix ins_34
+unfix ins_35
+unfix ins_36
+unfix ins_37
+unfix ins_38
+unfix ins_39
+unfix ins_40
+
+run 100 upto
+
+# Set gouge layer grain density
+set group all density/disc 2.5
+
+# Apply NVE integration to all particles
+fix integr all nve/sphere disc
+
+# Output settings
+compute 1 all erotate/sphere
+compute 2 all contact/atom
+compute 3 all ke
+
+variable Sxx equal pxx
+variable Syy equal pyy
+variable TotalPressure equal (v_Sxx+v_Syy)/2.0
+
+thermo_style custom step atoms ke pxx pyy v_TotalPressure ly
+thermo 50000
+thermo_modify lost ignore norm no
+
+set group all density/disc 2.5
+
+# Stop the confining pressure once the pressure is superior to the desired pressure
+fix condition all halt 1 v_Syy > ${confinement_pressure} error continue
+fix def all deform 1 x erate -50 y erate -50 z erate 0
+
+run 1500000
+unfix def
+unfix condition
+
+run 10000
+
+# Check if the pressure does not decrease
+label loopa
+variable a loop 1000
+ label loopb
+ variable P equal pyy
+ variable b loop 1000
+ if "${P} > ${confinement_pressure}" then "jump SELF break"
+ fix def all deform 1 x erate -10 y erate -10 z erate 0
+ run 1000
+ unfix def
+ run 10000
+ next b
+ jump SELF loopb
+ label break
+ variable b delete
+if "${P} > ${confinement_pressure}" then "jump SELF break2"
+next a
+jump SELF loopa
+label break2
+print "Over"
+
+restart 1000000 confined.restart confined2.restart
+
+run 1000000
+
+write_data box_confined.data
\ No newline at end of file
diff --git a/DATASET/P=110000Pa/2_shear.in b/DATASET/P=110000Pa/2_shear.in
new file mode 100644
index 0000000..1547629
--- /dev/null
+++ b/DATASET/P=110000Pa/2_shear.in
@@ -0,0 +1,36 @@
+read_restart confined.restart
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+
+fix 2 all deform 1 xy erate ${rate}
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+
+write_data box_sheared.data
+
diff --git a/DATASET/P=110000Pa/StrainStress.txt b/DATASET/P=110000Pa/StrainStress.txt
new file mode 100644
index 0000000..b58a201
--- /dev/null
+++ b/DATASET/P=110000Pa/StrainStress.txt
@@ -0,0 +1,1002 @@
+# Fix print output for fix output_file
+4.28144640000355e-05 -4790.0198713613117434
+0.000142714879999963 -4992.2802774483752728
+0.000242615296000046 -5194.5367145006475766
+0.000342515711999973 -5396.7934710085419283
+0.000442416128000056 -5599.0505432826566903
+0.000542316543999983 -5801.3115176822730064
+0.000642216960000066 -6003.5868136636008785
+0.000742117375999993 -6205.8892227390833796
+0.000842017792000076 -6408.2098266027142017
+0.000941918208000004 -6610.5368207615747451
+0.00104181862399993 -6812.8619653775849656
+0.00114171904000001 -7015.1803028918466225
+0.00124161945599994 -7217.540468070001225
+0.00134151987200002 -7419.93926937228116
+0.00144142028799995 -7622.3636176983636688
+0.00154132070400003 -7824.8037796192929818
+0.00164122111999996 -8027.2500079457577158
+0.00174112153600004 -8229.7180174941313453
+0.00184102195199997 -8432.2049742943054298
+0.00194092236800005 -8634.700938882164337
+0.00204082278399998 -8837.1997035365420743
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diff --git a/DATASET/P=110000Pa/box_confined.data b/DATASET/P=110000Pa/box_confined.data
new file mode 100644
index 0000000..696a510
--- /dev/null
+++ b/DATASET/P=110000Pa/box_confined.data
@@ -0,0 +1,494 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2118132
+
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diff --git a/DATASET/P=110000Pa/box_sheared.data b/DATASET/P=110000Pa/box_sheared.data
new file mode 100644
index 0000000..b7002cf
--- /dev/null
+++ b/DATASET/P=110000Pa/box_sheared.data
@@ -0,0 +1,495 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2224223
+
+240 atoms
+6 atom types
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+0.027700800000000005 0.07229920000000001 ylo yhi
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+164 -25.150446151566083 -0.28020581302764036 0 0 0 0
+166 15.705621460157971 -16.206493530118678 0 0 0 0
+175 22.012407042582787 -1.9953483787969872 0 0 0 0
+173 -6.743709788532939 -12.959738311917842 0 0 0 0
+177 -55.82135123403906 15.307601190083378 0 0 0 0
+163 2.424813180097369 -25.799622108271915 0 0 0 0
+171 18.546827656298728 -10.143572402206997 0 0 0 0
+170 5.407127657555884 3.2159502217207523 0 0 0 0
+194 -37.60805946766227 26.48802567563219 0 0 0 0
+182 2.378922121897676 -51.050689477507866 0 0 0 0
+186 6.1697967638030065 -37.154053984198825 0 0 0 0
+181 35.646568996018466 -10.532548053462545 0 0 0 0
+190 -10.018916587450937 21.310211562353476 0 0 0 0
+184 -34.26998202458918 18.217835642984998 0 0 0 0
+187 -43.81805035199967 46.482899542427475 0 0 0 0
+191 0.3772684151378587 46.483571114663725 0 0 0 0
+209 -2.141118648283647 40.448446859823356 0 0 0 0
+196 35.07379454690192 -2.5708951608838264 0 0 0 0
+180 3.6520126111895848 25.102945986174916 0 0 0 0
+178 39.66583852974767 0.5319983322652498 0 0 0 0
+185 12.813196927640872 -7.359204158533466 0 0 0 0
+183 11.656575667813733 -2.4341443296261045 0 0 0 0
+198 -14.601563118089292 -18.847049337976536 0 0 0 0
+202 37.985194824222226 -4.179621599292238 0 0 0 0
+189 -27.205311622669146 2.5453486688606075 0 0 0 0
+210 17.4971866987385 5.901520080858142 0 0 0 0
+200 -1.854731663971425 39.84625972475133 0 0 0 0
+193 -44.950113769080424 23.922389169489072 0 0 0 0
+206 7.443673420203963 31.87838874787512 0 0 0 0
+199 -10.130378271955758 31.538078433498402 0 0 0 0
+204 28.89441887989615 -22.267863168885523 0 0 0 0
+188 33.35932459309199 85.00349443200757 0 0 0 0
+208 18.773931121083898 3.8167834582091147 0 0 0 0
+195 3.365807281546331 -31.585576323972248 0 0 0 0
+207 -23.538761847430237 -37.58581860933751 0 0 0 0
+227 -10.477081192314255 -19.24598672586881 0 0 0 0
+219 -16.87601159096886 14.453351130742728 0 0 0 0
+216 -0.21587742722851683 -22.945083691364978 0 0 0 0
+212 27.86825547859669 -2.841370910788314 0 0 0 0
+221 2.472140726163606 -21.13051803720409 0 0 0 0
+214 4.965457917666529 28.32078238502375 0 0 0 0
+220 -15.017442482815904 30.1440525045971 0 0 0 0
+205 -43.50428148536785 26.701830837396486 0 0 0 0
+222 25.43696535058289 7.326483642556495 0 0 0 0
+215 20.25673793088708 -3.1950295011333223 0 0 0 0
+228 -1.888651180504629 -22.755036090746998 0 0 0 0
+201 -21.92127242788063 -6.447142071818518 0 0 0 0
+211 34.97895603354027 -1.4915914236625327 0 0 0 0
+237 52.18342952367375 -3.2219862419942795 0 0 0 0
+232 43.75382925696106 57.887636524322055 0 0 0 0
+218 37.61915925122474 1.3305608379730158 0 0 0 0
+213 43.00367323245586 -55.963966288748146 0 0 0 0
+1 14.494315327453712 22.69823250786559 0 0 0 0
+230 -14.850526907033545 9.105278406099723 0 0 0 0
+15 -44.675605000732716 -41.06636500298495 0 0 0 0
+224 -23.635859708450738 0.010737116776806582 0 0 0 0
+234 -23.09319292440313 10.781528973980128 0 0 0 0
+226 -20.524459548860033 14.179003485531327 0 0 0 0
+233 -20.936300795906604 -37.76818922197877 0 0 0 0
+6 7.7041240132656545 17.600084144625843 0 0 0 0
+236 -50.10114162733319 -47.22954047733949 0 0 0 0
+231 -4.4625973279080045 38.71910488650948 0 0 0 0
+229 -25.889318774283606 -23.34953928486636 0 0 0 0
+223 12.498074257664374 -31.27063787288775 0 0 0 0
+225 9.709809500443757 8.639075111069308 0 0 0 0
+5 -7.543782590230676 8.580426443285376 0 0 0 0
diff --git a/DATASET/P=110000Pa/confined.restart b/DATASET/P=110000Pa/confined.restart
new file mode 100644
index 0000000..bef0e1e
Binary files /dev/null and b/DATASET/P=110000Pa/confined.restart differ
diff --git a/DATASET/P=110000Pa/log.lammps b/DATASET/P=110000Pa/log.lammps
new file mode 100644
index 0000000..b6a9615
--- /dev/null
+++ b/DATASET/P=110000Pa/log.lammps
@@ -0,0 +1,148 @@
+LAMMPS (29 Sep 2021 - Update 3)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
+ using 1 OpenMP thread(s) per MPI task
+read_restart confined.restart
+Reading restart file ...
+ restart file = 29 Sep 2021, LAMMPS = 29 Sep 2021
+ restoring atom style sphere from restart
+ orthogonal box = (0.027700800 0.027700800 -0.00050000000) to (0.072299200 0.072299200 0.00050000000)
+ 1 by 1 by 1 MPI processor grid
+ restoring pair style gran/hertz/history from restart
+ 240 atoms
+ read_restart CPU = 0.001 seconds
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable nb_step equal 224223
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+variable print_freq equal 224
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+Changing box ...
+ triclinic box = (0.027700800 0.027700800 -0.00050000000) to (0.072299200 0.072299200 0.00050000000) with tilt (0.0000000 0.0000000 0.0000000)
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+timestep 0.01
+
+fix 2 all deform 1 xy erate ${rate}
+fix 2 all deform 1 xy erate 4.45984e-05
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+fix output_file all print 224 "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+run 224223
+Resetting global fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+Resetting peratom fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+All restart file global fix info was re-assigned
+All restart file peratom fix info was re-assigned
+Neighbor list info ...
+ update every 1 steps, delay 10 steps, check yes
+ max neighbors/atom: 2000, page size: 100000
+ master list distance cutoff = 0.0045
+ ghost atom cutoff = 0.0045
+ binsize = 0.00225, bins = 20 20 1
+ 1 neighbor lists, perpetual/occasional/extra = 1 0 0
+ (1) pair gran/hertz/history, perpetual
+ attributes: half, newton on, size, history
+ pair build: half/size/bin/newton/tri
+ stencil: half/bin/2d/tri
+ bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.981 | 9.981 | 9.981 Mbytes
+Step Atoms Lx Xy Pxy v_eps v_nb_step
+ 2000000 240 0.0445984 0 -4704.238 0 224223
+ 2005000 240 0.0445984 9.9450864e-05 -9220.4901 0.00222992 224223
+ 2010000 240 0.0445984 0.00019890173 -13728.425 0.00445984 224223
+ 2015000 240 0.0445984 0.00029835259 -18218.888 0.00668976 224223
+ 2020000 240 0.0445984 0.00039780346 -22698.913 0.00891968 224223
+ 2025000 240 0.0445984 0.00049725432 -27189.623 0.0111496 224223
+ 2030000 240 0.0445984 0.00059670518 -31691.781 0.01337952 224223
+ 2035000 240 0.0445984 0.00069615605 -36201.186 0.01560944 224223
+ 2040000 240 0.0445984 0.00079560691 -40718.674 0.01783936 224223
+ 2045000 240 0.0445984 0.00089505778 -45250.028 0.02006928 224223
+ 2050000 240 0.0445984 0.00099450864 -49798.629 0.0222992 224223
+ 2055000 240 0.0445984 0.0010939595 -54363.863 0.02452912 224223
+ 2060000 240 0.0445984 0.0011934104 -58933.582 0.02675904 224223
+ 2065000 240 0.0445984 0.0012928612 -63506.39 0.02898896 224223
+ 2070000 240 0.0445984 0.0013923121 -68090.539 0.03121888 224223
+ 2075000 240 0.0445984 0.001491763 -72684.512 0.0334488 224223
+ 2080000 240 0.0445984 0.0015912138 -77284.749 0.03567872 224223
+ 2085000 240 0.0445984 0.0016906647 -81870.574 0.03790864 224223
+ 2090000 240 0.0445984 0.0017901156 -86448.438 0.04013856 224223
+ 2095000 240 0.0445984 0.0018895664 -91029.611 0.04236848 224223
+ 2100000 240 0.0445984 0.0019890173 -95618.612 0.0445984 224223
+ 2105000 240 0.0445984 0.0020884681 -100223.17 0.04682832 224223
+ 2110000 240 0.0445984 0.002187919 -104846.55 0.04905824 224223
+ 2115000 240 0.0445984 0.0022873699 -109488.01 0.05128816 224223
+ 2120000 240 0.0445984 0.0023868207 -114144 0.05351808 224223
+ 2125000 240 0.0445984 0.0024862716 -118811.72 0.055748 224223
+ 2130000 240 0.0445984 0.0025857225 -123500.63 0.05797792 224223
+ 2135000 240 0.0445984 0.0026851733 -128203.97 0.06020784 224223
+ 2140000 240 0.0445984 0.0027846242 -132930.77 0.06243776 224223
+ 2145000 240 0.0445984 0.0028840751 -137686.45 0.06466768 224223
+ 2150000 240 0.0445984 0.0029835259 -142476.5 0.0668976 224223
+ 2155000 240 0.0445984 0.0030829768 -147301.04 0.06912752 224223
+ 2160000 240 0.0445984 0.0031824277 -152160.97 0.07135744 224223
+ 2165000 240 0.0445984 0.0032818785 -157055.94 0.07358736 224223
+ 2170000 240 0.0445984 0.0033813294 -161986.42 0.07581728 224223
+ 2175000 240 0.0445984 0.0034807802 -166954 0.0780472 224223
+ 2180000 240 0.0445984 0.0035802311 -171956.27 0.08027712 224223
+ 2185000 240 0.0445984 0.003679682 -176992.07 0.08250704 224223
+ 2190000 240 0.0445984 0.0037791328 -182062.23 0.08473696 224223
+ 2195000 240 0.0445984 0.0038785837 -187163.55 0.08696688 224223
+ 2200000 240 0.0445984 0.0039780346 -192293.46 0.0891968 224223
+ 2205000 240 0.0445984 0.0040774854 -197452.7 0.09142672 224223
+ 2210000 240 0.0445984 0.0041769363 -202640.98 0.09365664 224223
+ 2215000 240 0.0445984 0.0042763872 -207868.01 0.09588656 224223
+ 2220000 240 0.0445984 0.004375838 -213135.63 0.09811648 224223
+ 2224223 240 0.0445984 0.0044598342 -217614.51 0.09999987 224223
+Loop time of 4.80092 on 1 procs for 224223 steps with 240 atoms
+
+99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 3.5675 | 3.5675 | 3.5675 | 0.0 | 74.31
+Neigh | 0.00070715 | 0.00070715 | 0.00070715 | 0.0 | 0.01
+Comm | 0.46004 | 0.46004 | 0.46004 | 0.0 | 9.58
+Output | 0.0063028 | 0.0063028 | 0.0063028 | 0.0 | 0.13
+Modify | 0.56555 | 0.56555 | 0.56555 | 0.0 | 11.78
+Other | | 0.2008 | | | 4.18
+
+Nlocal: 240.000 ave 240 max 240 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost: 101.000 ave 101 max 101 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs: 700.000 ave 700 max 700 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 700
+Ave neighs/atom = 2.9166667
+Neighbor list builds = 17
+Dangerous builds = 0
+
+write_data box_sheared.data
+System init for write_data ...
+
+Total wall time: 0:00:04
diff --git a/DATASET/P=120000Pa/1_generate_conf_120000Pa.in b/DATASET/P=120000Pa/1_generate_conf_120000Pa.in
new file mode 100644
index 0000000..63b9b78
--- /dev/null
+++ b/DATASET/P=120000Pa/1_generate_conf_120000Pa.in
@@ -0,0 +1,265 @@
+atom_style sphere
+atom_modify map array
+dimension 2
+boundary p p p
+newton off
+comm_modify vel yes
+units si
+
+region reg block 0.0 0.1 0 0.1 -0.0005 0.0005 units box
+variable confinement_pressure equal 120000
+
+# How many grain/atom types
+create_box 6 reg
+
+# Size of bins for more efficiently searching for grain contacts.
+neighbor 0.001 bin
+
+# Reconstruct the neighbor list without any delay, every time-step
+neigh_modify delay 0
+
+# Glass marbles, tangential force
+pair_style gran/hertz/history 36630036630.0 0.0 0.2 NULL 0.0 0
+
+pair_coeff * *
+
+timestep 1e-8
+
+fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
+
+# Particle insertion in regions
+
+region region_gouge_1 block 0.00 0.1 0.0000 0.0025 -0.0005 0.0005 units box
+region region_gouge_2 block 0.00 0.1 0.0025 0.0050 -0.0005 0.0005 units box
+region region_gouge_3 block 0.00 0.1 0.0050 0.0075 -0.0005 0.0005 units box
+region region_gouge_4 block 0.00 0.1 0.0075 0.0100 -0.0005 0.0005 units box
+region region_gouge_5 block 0.00 0.1 0.0100 0.0125 -0.0005 0.0005 units box
+region region_gouge_6 block 0.00 0.1 0.0125 0.0150 -0.0005 0.0005 units box
+region region_gouge_7 block 0.00 0.1 0.0150 0.0175 -0.0005 0.0005 units box
+region region_gouge_8 block 0.00 0.1 0.0175 0.0200 -0.0005 0.0005 units box
+region region_gouge_9 block 0.00 0.1 0.0200 0.0225 -0.0005 0.0005 units box
+region region_gouge_10 block 0.00 0.1 0.0225 0.0250 -0.0005 0.0005 units box
+region region_gouge_11 block 0.00 0.1 0.0250 0.0275 -0.0005 0.0005 units box
+region region_gouge_12 block 0.00 0.1 0.0275 0.0300 -0.0005 0.0005 units box
+region region_gouge_13 block 0.00 0.1 0.0300 0.0325 -0.0005 0.0005 units box
+region region_gouge_14 block 0.00 0.1 0.0325 0.0350 -0.0005 0.0005 units box
+region region_gouge_15 block 0.00 0.1 0.0350 0.0375 -0.0005 0.0005 units box
+region region_gouge_16 block 0.00 0.1 0.0375 0.0400 -0.0005 0.0005 units box
+region region_gouge_17 block 0.00 0.1 0.0400 0.0425 -0.0005 0.0005 units box
+region region_gouge_18 block 0.00 0.1 0.0425 0.0450 -0.0005 0.0005 units box
+region region_gouge_19 block 0.00 0.1 0.0450 0.0475 -0.0005 0.0005 units box
+region region_gouge_20 block 0.00 0.1 0.0475 0.0500 -0.0005 0.0005 units box
+region region_gouge_21 block 0.00 0.1 0.0500 0.0525 -0.0005 0.0005 units box
+region region_gouge_22 block 0.00 0.1 0.0525 0.0550 -0.0005 0.0005 units box
+region region_gouge_23 block 0.00 0.1 0.0550 0.0575 -0.0005 0.0005 units box
+region region_gouge_24 block 0.00 0.1 0.0575 0.0600 -0.0005 0.0005 units box
+region region_gouge_25 block 0.00 0.1 0.0600 0.0625 -0.0005 0.0005 units box
+region region_gouge_26 block 0.00 0.1 0.0625 0.0650 -0.0005 0.0005 units box
+region region_gouge_27 block 0.00 0.1 0.0650 0.0675 -0.0005 0.0005 units box
+region region_gouge_28 block 0.00 0.1 0.0675 0.0700 -0.0005 0.0005 units box
+region region_gouge_29 block 0.00 0.1 0.0700 0.0725 -0.0005 0.0005 units box
+region region_gouge_30 block 0.00 0.1 0.0725 0.0750 -0.0005 0.0005 units box
+region region_gouge_31 block 0.00 0.1 0.0750 0.0775 -0.0005 0.0005 units box
+region region_gouge_32 block 0.00 0.1 0.0775 0.0800 -0.0005 0.0005 units box
+region region_gouge_33 block 0.00 0.1 0.0800 0.0825 -0.0005 0.0005 units box
+region region_gouge_34 block 0.00 0.1 0.0825 0.0850 -0.0005 0.0005 units box
+region region_gouge_35 block 0.00 0.1 0.0850 0.0875 -0.0005 0.0005 units box
+region region_gouge_36 block 0.00 0.1 0.0875 0.0900 -0.0005 0.0005 units box
+region region_gouge_37 block 0.00 0.1 0.0900 0.0925 -0.0005 0.0005 units box
+region region_gouge_38 block 0.00 0.1 0.0925 0.0950 -0.0005 0.0005 units box
+region region_gouge_39 block 0.00 0.1 0.0950 0.0975 -0.0005 0.0005 units box
+region region_gouge_40 block 0.00 0.1 0.0975 0.1000 -0.0005 0.0005 units box
+
+group nve_group region region_gouge_1
+group nve_group region region_gouge_2
+group nve_group region region_gouge_3
+group nve_group region region_gouge_4
+group nve_group region region_gouge_5
+group nve_group region region_gouge_6
+group nve_group region region_gouge_7
+group nve_group region region_gouge_8
+group nve_group region region_gouge_9
+group nve_group region region_gouge_10
+group nve_group region region_gouge_11
+group nve_group region region_gouge_12
+group nve_group region region_gouge_13
+group nve_group region region_gouge_14
+group nve_group region region_gouge_15
+group nve_group region region_gouge_16
+group nve_group region region_gouge_17
+group nve_group region region_gouge_18
+group nve_group region region_gouge_19
+group nve_group region region_gouge_20
+group nve_group region region_gouge_21
+group nve_group region region_gouge_22
+group nve_group region region_gouge_23
+group nve_group region region_gouge_24
+group nve_group region region_gouge_25
+group nve_group region region_gouge_26
+group nve_group region region_gouge_27
+group nve_group region region_gouge_28
+group nve_group region region_gouge_29
+group nve_group region region_gouge_30
+group nve_group region region_gouge_31
+group nve_group region region_gouge_32
+group nve_group region region_gouge_33
+group nve_group region region_gouge_34
+group nve_group region region_gouge_35
+group nve_group region region_gouge_36
+group nve_group region region_gouge_37
+group nve_group region region_gouge_38
+group nve_group region region_gouge_39
+group nve_group region region_gouge_40
+
+fix ins_1 nve_group pour 50000 1 230 region region_gouge_1 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_2 nve_group pour 50000 1 365 region region_gouge_2 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_3 nve_group pour 50000 1 563 region region_gouge_3 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_4 nve_group pour 50000 1 438 region region_gouge_4 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_5 nve_group pour 50000 1 776 region region_gouge_5 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_6 nve_group pour 50000 1 283 region region_gouge_6 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_7 nve_group pour 50000 1 27 region region_gouge_7 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_8 nve_group pour 50000 1 226 region region_gouge_8 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_9 nve_group pour 50000 1 277 region region_gouge_9 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_10 nve_group pour 50000 1 798 region region_gouge_10 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_11 nve_group pour 50000 1 609 region region_gouge_11 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_12 nve_group pour 50000 1 284 region region_gouge_12 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_13 nve_group pour 50000 1 879 region region_gouge_13 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_14 nve_group pour 50000 1 960 region region_gouge_14 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_15 nve_group pour 50000 1 481 region region_gouge_15 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_16 nve_group pour 50000 1 453 region region_gouge_16 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_17 nve_group pour 50000 1 829 region region_gouge_17 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_18 nve_group pour 50000 1 816 region region_gouge_18 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_19 nve_group pour 50000 1 659 region region_gouge_19 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_20 nve_group pour 50000 1 516 region region_gouge_20 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_21 nve_group pour 50000 1 547 region region_gouge_21 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_22 nve_group pour 50000 1 192 region region_gouge_22 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_23 nve_group pour 50000 1 49 region region_gouge_23 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_24 nve_group pour 50000 1 512 region region_gouge_24 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_25 nve_group pour 50000 1 17 region region_gouge_25 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_26 nve_group pour 50000 1 172 region region_gouge_26 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_27 nve_group pour 50000 1 220 region region_gouge_27 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_28 nve_group pour 50000 1 158 region region_gouge_28 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_29 nve_group pour 50000 1 477 region region_gouge_29 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_30 nve_group pour 50000 1 46 region region_gouge_30 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_31 nve_group pour 50000 1 373 region region_gouge_31 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_32 nve_group pour 50000 1 518 region region_gouge_32 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_33 nve_group pour 50000 1 99 region region_gouge_33 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_34 nve_group pour 50000 1 892 region region_gouge_34 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_35 nve_group pour 50000 1 745 region region_gouge_35 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_36 nve_group pour 50000 1 37 region region_gouge_36 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_37 nve_group pour 50000 1 280 region region_gouge_37 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_38 nve_group pour 50000 1 349 region region_gouge_38 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_39 nve_group pour 50000 1 497 region region_gouge_39 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_40 nve_group pour 50000 1 302 region region_gouge_40 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+
+run 1
+
+set group nve_group density/disc 2.5
+fix integr nve_group nve/sphere disc
+fix makeit2d all enforce2d
+
+thermo 1
+thermo_modify lost ignore norm no
+
+# Unfix particle insertion
+
+unfix ins_1
+unfix ins_2
+unfix ins_3
+unfix ins_4
+unfix ins_5
+unfix ins_6
+unfix ins_7
+unfix ins_8
+unfix ins_9
+unfix ins_10
+unfix ins_11
+unfix ins_12
+unfix ins_13
+unfix ins_14
+unfix ins_15
+unfix ins_16
+unfix ins_17
+unfix ins_18
+unfix ins_19
+unfix ins_20
+unfix ins_21
+unfix ins_22
+unfix ins_23
+unfix ins_24
+unfix ins_25
+unfix ins_26
+unfix ins_27
+unfix ins_28
+unfix ins_29
+unfix ins_30
+unfix ins_31
+unfix ins_32
+unfix ins_33
+unfix ins_34
+unfix ins_35
+unfix ins_36
+unfix ins_37
+unfix ins_38
+unfix ins_39
+unfix ins_40
+
+run 100 upto
+
+# Set gouge layer grain density
+set group all density/disc 2.5
+
+# Apply NVE integration to all particles
+fix integr all nve/sphere disc
+
+# Output settings
+compute 1 all erotate/sphere
+compute 2 all contact/atom
+compute 3 all ke
+
+variable Sxx equal pxx
+variable Syy equal pyy
+variable TotalPressure equal (v_Sxx+v_Syy)/2.0
+
+thermo_style custom step atoms ke pxx pyy v_TotalPressure ly
+thermo 50000
+thermo_modify lost ignore norm no
+
+set group all density/disc 2.5
+
+# Stop the confining pressure once the pressure is superior to the desired pressure
+fix condition all halt 1 v_Syy > ${confinement_pressure} error continue
+fix def all deform 1 x erate -50 y erate -50 z erate 0
+
+run 1500000
+unfix def
+unfix condition
+
+run 10000
+
+# Check if the pressure does not decrease
+label loopa
+variable a loop 1000
+ label loopb
+ variable P equal pyy
+ variable b loop 1000
+ if "${P} > ${confinement_pressure}" then "jump SELF break"
+ fix def all deform 1 x erate -10 y erate -10 z erate 0
+ run 1000
+ unfix def
+ run 10000
+ next b
+ jump SELF loopb
+ label break
+ variable b delete
+if "${P} > ${confinement_pressure}" then "jump SELF break2"
+next a
+jump SELF loopa
+label break2
+print "Over"
+
+restart 1000000 confined.restart confined2.restart
+
+run 1000000
+
+write_data box_confined.data
\ No newline at end of file
diff --git a/DATASET/P=120000Pa/2_shear.in b/DATASET/P=120000Pa/2_shear.in
new file mode 100644
index 0000000..1547629
--- /dev/null
+++ b/DATASET/P=120000Pa/2_shear.in
@@ -0,0 +1,36 @@
+read_restart confined.restart
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+
+fix 2 all deform 1 xy erate ${rate}
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+
+write_data box_sheared.data
+
diff --git a/DATASET/P=120000Pa/StrainStress.txt b/DATASET/P=120000Pa/StrainStress.txt
new file mode 100644
index 0000000..e806e89
--- /dev/null
+++ b/DATASET/P=120000Pa/StrainStress.txt
@@ -0,0 +1,1001 @@
+# Fix print output for fix output_file
+1.11159530932228e-05 -1456.2299407552650337
+0.00011115953093176 -1671.6896785120823097
+0.000211203108770297 -1887.0467318342878116
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diff --git a/DATASET/P=120000Pa/box_confined.data b/DATASET/P=120000Pa/box_confined.data
new file mode 100644
index 0000000..29de3af
--- /dev/null
+++ b/DATASET/P=120000Pa/box_confined.data
@@ -0,0 +1,494 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2186290
+
+240 atoms
+6 atom types
+
+0.027768093813657375 0.07223190618634265 xlo xhi
+0.027768093813657375 0.07223190618634265 ylo yhi
+-0.0005 0.0005 zlo zhi
+
+Atoms # sphere
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+10 -19.44290495248889 6.301946515798682 0 0 0 0
+7 -10.223710485496081 -17.510110034409013 0 0 0 0
+230 10.722518240096086 -53.33933250896536 0 0 0 0
diff --git a/DATASET/P=120000Pa/box_sheared.data b/DATASET/P=120000Pa/box_sheared.data
new file mode 100644
index 0000000..f8ef96a
--- /dev/null
+++ b/DATASET/P=120000Pa/box_sheared.data
@@ -0,0 +1,495 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2224902
+
+240 atoms
+6 atom types
+
+0.027768093813657375 0.07223190618634265 xlo xhi
+0.027768093813657375 0.07223190618634265 ylo yhi
+-0.0005 0.0005 zlo zhi
+0.004446381384106565 0 0 xy xz yz
+
+Atoms # sphere
+
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diff --git a/DATASET/P=120000Pa/confined.restart b/DATASET/P=120000Pa/confined.restart
new file mode 100644
index 0000000..6b15836
Binary files /dev/null and b/DATASET/P=120000Pa/confined.restart differ
diff --git a/DATASET/P=120000Pa/log.lammps b/DATASET/P=120000Pa/log.lammps
new file mode 100644
index 0000000..f9f1078
--- /dev/null
+++ b/DATASET/P=120000Pa/log.lammps
@@ -0,0 +1,148 @@
+LAMMPS (29 Sep 2021 - Update 3)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
+ using 1 OpenMP thread(s) per MPI task
+read_restart confined.restart
+Reading restart file ...
+ restart file = 29 Sep 2021, LAMMPS = 29 Sep 2021
+ restoring atom style sphere from restart
+ orthogonal box = (0.027768094 0.027768094 -0.00050000000) to (0.072231906 0.072231906 0.00050000000)
+ 1 by 1 by 1 MPI processor grid
+ restoring pair style gran/hertz/history from restart
+ 240 atoms
+ read_restart CPU = 0.001 seconds
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable nb_step equal 224902
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+variable print_freq equal 225
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+Changing box ...
+ triclinic box = (0.027768094 0.027768094 -0.00050000000) to (0.072231906 0.072231906 0.00050000000) with tilt (0.0000000 0.0000000 0.0000000)
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+timestep 0.01
+
+fix 2 all deform 1 xy erate ${rate}
+fix 2 all deform 1 xy erate 4.44638123726853e-05
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+fix output_file all print 225 "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+run 224902
+Resetting global fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+Resetting peratom fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+All restart file global fix info was re-assigned
+All restart file peratom fix info was re-assigned
+Neighbor list info ...
+ update every 1 steps, delay 10 steps, check yes
+ max neighbors/atom: 2000, page size: 100000
+ master list distance cutoff = 0.0045
+ ghost atom cutoff = 0.0045
+ binsize = 0.00225, bins = 20 20 1
+ 1 neighbor lists, perpetual/occasional/extra = 1 0 0
+ (1) pair gran/hertz/history, perpetual
+ attributes: half, newton on, size, history
+ pair build: half/size/bin/newton/tri
+ stencil: half/bin/2d/tri
+ bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.981 | 9.981 | 9.981 Mbytes
+Step Atoms Lx Xy Pxy v_eps v_nb_step
+ 2000000 240 0.044463812 0 -1433.2421 0 224902
+ 2005000 240 0.044463812 9.8851531e-05 -6198.1878 0.0022231906 224902
+ 2010000 240 0.044463812 0.00019770306 -10935.1 0.0044463812 224902
+ 2015000 240 0.044463812 0.00029655459 -15639.966 0.0066695719 224902
+ 2020000 240 0.044463812 0.00039540612 -20307.113 0.0088927625 224902
+ 2025000 240 0.044463812 0.00049425765 -24951.177 0.011115953 224902
+ 2030000 240 0.044463812 0.00059310918 -29573.959 0.013339144 224902
+ 2035000 240 0.044463812 0.00069196071 -34174.084 0.015562334 224902
+ 2040000 240 0.044463812 0.00079081224 -38749.686 0.017785525 224902
+ 2045000 240 0.044463812 0.00088966377 -43303.957 0.020008716 224902
+ 2050000 240 0.044463812 0.00098851531 -47826.75 0.022231906 224902
+ 2055000 240 0.044463812 0.0010873668 -52325.346 0.024455097 224902
+ 2060000 240 0.044463812 0.0011862184 -56793.17 0.026678287 224902
+ 2065000 240 0.044463812 0.0012850699 -61241.952 0.028901478 224902
+ 2070000 240 0.044463812 0.0013839214 -65666.699 0.031124669 224902
+ 2075000 240 0.044463812 0.001482773 -70079.798 0.033347859 224902
+ 2080000 240 0.044463812 0.0015816245 -74494.341 0.03557105 224902
+ 2085000 240 0.044463812 0.001680476 -78907.366 0.037794241 224902
+ 2090000 240 0.044463812 0.0017793275 -83314.068 0.040017431 224902
+ 2095000 240 0.044463812 0.0018781791 -87722.382 0.042240622 224902
+ 2100000 240 0.044463812 0.0019770306 -92143.944 0.044463812 224902
+ 2105000 240 0.044463812 0.0020758821 -96592.004 0.046687003 224902
+ 2110000 240 0.044463812 0.0021747337 -101078.34 0.048910194 224902
+ 2115000 240 0.044463812 0.0022735852 -105600.32 0.051133384 224902
+ 2120000 240 0.044463812 0.0023724367 -110149.45 0.053356575 224902
+ 2125000 240 0.044463812 0.0024712883 -114715.63 0.055579765 224902
+ 2130000 240 0.044463812 0.0025701398 -119294.83 0.057802956 224902
+ 2135000 240 0.044463812 0.0026689913 -123893.75 0.060026147 224902
+ 2140000 240 0.044463812 0.0027678429 -128520.31 0.062249337 224902
+ 2145000 240 0.044463812 0.0028666944 -133176.24 0.064472528 224902
+ 2150000 240 0.044463812 0.0029655459 -137852.92 0.066695719 224902
+ 2155000 240 0.044463812 0.0030643974 -142547.59 0.068918909 224902
+ 2160000 240 0.044463812 0.003163249 -147268.71 0.0711421 224902
+ 2165000 240 0.044463812 0.0032621005 -152012.76 0.07336529 224902
+ 2170000 240 0.044463812 0.003360952 -156781.93 0.075588481 224902
+ 2175000 240 0.044463812 0.0034598036 -161573.72 0.077811672 224902
+ 2180000 240 0.044463812 0.0035586551 -166399.88 0.080034862 224902
+ 2185000 240 0.044463812 0.0036575066 -171255.03 0.082258053 224902
+ 2190000 240 0.044463812 0.0037563582 -176136.98 0.084481244 224902
+ 2195000 240 0.044463812 0.0038552097 -181045.01 0.086704434 224902
+ 2200000 240 0.044463812 0.0039540612 -185977.87 0.088927625 224902
+ 2205000 240 0.044463812 0.0040529128 -190929.43 0.091150815 224902
+ 2210000 240 0.044463812 0.0041517643 -195900.74 0.093374006 224902
+ 2215000 240 0.044463812 0.0042506158 -200889.2 0.095597197 224902
+ 2220000 240 0.044463812 0.0043494673 -205908.25 0.097820387 224902
+ 2224902 240 0.044463812 0.0044463814 -210858.73 0.1 224902
+Loop time of 5.41381 on 1 procs for 224902 steps with 240 atoms
+
+100.1% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 3.9816 | 3.9816 | 3.9816 | 0.0 | 73.55
+Neigh | 0.0008111 | 0.0008111 | 0.0008111 | 0.0 | 0.01
+Comm | 0.54599 | 0.54599 | 0.54599 | 0.0 | 10.09
+Output | 0.0068712 | 0.0068712 | 0.0068712 | 0.0 | 0.13
+Modify | 0.64411 | 0.64411 | 0.64411 | 0.0 | 11.90
+Other | | 0.2344 | | | 4.33
+
+Nlocal: 240.000 ave 240 max 240 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost: 104.000 ave 104 max 104 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs: 701.000 ave 701 max 701 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 701
+Ave neighs/atom = 2.9208333
+Neighbor list builds = 17
+Dangerous builds = 0
+
+write_data box_sheared.data
+System init for write_data ...
+
+Total wall time: 0:00:05
diff --git a/DATASET/P=130000Pa/1_generate_conf_130000Pa.in b/DATASET/P=130000Pa/1_generate_conf_130000Pa.in
new file mode 100644
index 0000000..6805eb8
--- /dev/null
+++ b/DATASET/P=130000Pa/1_generate_conf_130000Pa.in
@@ -0,0 +1,265 @@
+atom_style sphere
+atom_modify map array
+dimension 2
+boundary p p p
+newton off
+comm_modify vel yes
+units si
+
+region reg block 0.0 0.1 0 0.1 -0.0005 0.0005 units box
+variable confinement_pressure equal 130000
+
+# How many grain/atom types
+create_box 6 reg
+
+# Size of bins for more efficiently searching for grain contacts.
+neighbor 0.001 bin
+
+# Reconstruct the neighbor list without any delay, every time-step
+neigh_modify delay 0
+
+# Glass marbles, tangential force
+pair_style gran/hertz/history 36630036630.0 0.0 0.2 NULL 0.0 0
+
+pair_coeff * *
+
+timestep 1e-8
+
+fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
+
+# Particle insertion in regions
+
+region region_gouge_1 block 0.00 0.1 0.0000 0.0025 -0.0005 0.0005 units box
+region region_gouge_2 block 0.00 0.1 0.0025 0.0050 -0.0005 0.0005 units box
+region region_gouge_3 block 0.00 0.1 0.0050 0.0075 -0.0005 0.0005 units box
+region region_gouge_4 block 0.00 0.1 0.0075 0.0100 -0.0005 0.0005 units box
+region region_gouge_5 block 0.00 0.1 0.0100 0.0125 -0.0005 0.0005 units box
+region region_gouge_6 block 0.00 0.1 0.0125 0.0150 -0.0005 0.0005 units box
+region region_gouge_7 block 0.00 0.1 0.0150 0.0175 -0.0005 0.0005 units box
+region region_gouge_8 block 0.00 0.1 0.0175 0.0200 -0.0005 0.0005 units box
+region region_gouge_9 block 0.00 0.1 0.0200 0.0225 -0.0005 0.0005 units box
+region region_gouge_10 block 0.00 0.1 0.0225 0.0250 -0.0005 0.0005 units box
+region region_gouge_11 block 0.00 0.1 0.0250 0.0275 -0.0005 0.0005 units box
+region region_gouge_12 block 0.00 0.1 0.0275 0.0300 -0.0005 0.0005 units box
+region region_gouge_13 block 0.00 0.1 0.0300 0.0325 -0.0005 0.0005 units box
+region region_gouge_14 block 0.00 0.1 0.0325 0.0350 -0.0005 0.0005 units box
+region region_gouge_15 block 0.00 0.1 0.0350 0.0375 -0.0005 0.0005 units box
+region region_gouge_16 block 0.00 0.1 0.0375 0.0400 -0.0005 0.0005 units box
+region region_gouge_17 block 0.00 0.1 0.0400 0.0425 -0.0005 0.0005 units box
+region region_gouge_18 block 0.00 0.1 0.0425 0.0450 -0.0005 0.0005 units box
+region region_gouge_19 block 0.00 0.1 0.0450 0.0475 -0.0005 0.0005 units box
+region region_gouge_20 block 0.00 0.1 0.0475 0.0500 -0.0005 0.0005 units box
+region region_gouge_21 block 0.00 0.1 0.0500 0.0525 -0.0005 0.0005 units box
+region region_gouge_22 block 0.00 0.1 0.0525 0.0550 -0.0005 0.0005 units box
+region region_gouge_23 block 0.00 0.1 0.0550 0.0575 -0.0005 0.0005 units box
+region region_gouge_24 block 0.00 0.1 0.0575 0.0600 -0.0005 0.0005 units box
+region region_gouge_25 block 0.00 0.1 0.0600 0.0625 -0.0005 0.0005 units box
+region region_gouge_26 block 0.00 0.1 0.0625 0.0650 -0.0005 0.0005 units box
+region region_gouge_27 block 0.00 0.1 0.0650 0.0675 -0.0005 0.0005 units box
+region region_gouge_28 block 0.00 0.1 0.0675 0.0700 -0.0005 0.0005 units box
+region region_gouge_29 block 0.00 0.1 0.0700 0.0725 -0.0005 0.0005 units box
+region region_gouge_30 block 0.00 0.1 0.0725 0.0750 -0.0005 0.0005 units box
+region region_gouge_31 block 0.00 0.1 0.0750 0.0775 -0.0005 0.0005 units box
+region region_gouge_32 block 0.00 0.1 0.0775 0.0800 -0.0005 0.0005 units box
+region region_gouge_33 block 0.00 0.1 0.0800 0.0825 -0.0005 0.0005 units box
+region region_gouge_34 block 0.00 0.1 0.0825 0.0850 -0.0005 0.0005 units box
+region region_gouge_35 block 0.00 0.1 0.0850 0.0875 -0.0005 0.0005 units box
+region region_gouge_36 block 0.00 0.1 0.0875 0.0900 -0.0005 0.0005 units box
+region region_gouge_37 block 0.00 0.1 0.0900 0.0925 -0.0005 0.0005 units box
+region region_gouge_38 block 0.00 0.1 0.0925 0.0950 -0.0005 0.0005 units box
+region region_gouge_39 block 0.00 0.1 0.0950 0.0975 -0.0005 0.0005 units box
+region region_gouge_40 block 0.00 0.1 0.0975 0.1000 -0.0005 0.0005 units box
+
+group nve_group region region_gouge_1
+group nve_group region region_gouge_2
+group nve_group region region_gouge_3
+group nve_group region region_gouge_4
+group nve_group region region_gouge_5
+group nve_group region region_gouge_6
+group nve_group region region_gouge_7
+group nve_group region region_gouge_8
+group nve_group region region_gouge_9
+group nve_group region region_gouge_10
+group nve_group region region_gouge_11
+group nve_group region region_gouge_12
+group nve_group region region_gouge_13
+group nve_group region region_gouge_14
+group nve_group region region_gouge_15
+group nve_group region region_gouge_16
+group nve_group region region_gouge_17
+group nve_group region region_gouge_18
+group nve_group region region_gouge_19
+group nve_group region region_gouge_20
+group nve_group region region_gouge_21
+group nve_group region region_gouge_22
+group nve_group region region_gouge_23
+group nve_group region region_gouge_24
+group nve_group region region_gouge_25
+group nve_group region region_gouge_26
+group nve_group region region_gouge_27
+group nve_group region region_gouge_28
+group nve_group region region_gouge_29
+group nve_group region region_gouge_30
+group nve_group region region_gouge_31
+group nve_group region region_gouge_32
+group nve_group region region_gouge_33
+group nve_group region region_gouge_34
+group nve_group region region_gouge_35
+group nve_group region region_gouge_36
+group nve_group region region_gouge_37
+group nve_group region region_gouge_38
+group nve_group region region_gouge_39
+group nve_group region region_gouge_40
+
+fix ins_1 nve_group pour 50000 1 181 region region_gouge_1 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_2 nve_group pour 50000 1 607 region region_gouge_2 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_3 nve_group pour 50000 1 99 region region_gouge_3 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_4 nve_group pour 50000 1 700 region region_gouge_4 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_5 nve_group pour 50000 1 993 region region_gouge_5 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_6 nve_group pour 50000 1 116 region region_gouge_6 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_7 nve_group pour 50000 1 191 region region_gouge_7 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_8 nve_group pour 50000 1 253 region region_gouge_8 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_9 nve_group pour 50000 1 981 region region_gouge_9 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_10 nve_group pour 50000 1 928 region region_gouge_10 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_11 nve_group pour 50000 1 983 region region_gouge_11 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_12 nve_group pour 50000 1 161 region region_gouge_12 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_13 nve_group pour 50000 1 256 region region_gouge_13 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_14 nve_group pour 50000 1 323 region region_gouge_14 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_15 nve_group pour 50000 1 128 region region_gouge_15 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_16 nve_group pour 50000 1 18 region region_gouge_16 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_17 nve_group pour 50000 1 793 region region_gouge_17 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_18 nve_group pour 50000 1 735 region region_gouge_18 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_19 nve_group pour 50000 1 566 region region_gouge_19 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_20 nve_group pour 50000 1 570 region region_gouge_20 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_21 nve_group pour 50000 1 323 region region_gouge_21 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_22 nve_group pour 50000 1 872 region region_gouge_22 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_23 nve_group pour 50000 1 686 region region_gouge_23 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_24 nve_group pour 50000 1 792 region region_gouge_24 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_25 nve_group pour 50000 1 626 region region_gouge_25 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_26 nve_group pour 50000 1 288 region region_gouge_26 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_27 nve_group pour 50000 1 943 region region_gouge_27 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_28 nve_group pour 50000 1 854 region region_gouge_28 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_29 nve_group pour 50000 1 663 region region_gouge_29 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_30 nve_group pour 50000 1 962 region region_gouge_30 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_31 nve_group pour 50000 1 639 region region_gouge_31 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_32 nve_group pour 50000 1 155 region region_gouge_32 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_33 nve_group pour 50000 1 490 region region_gouge_33 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_34 nve_group pour 50000 1 386 region region_gouge_34 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_35 nve_group pour 50000 1 986 region region_gouge_35 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_36 nve_group pour 50000 1 785 region region_gouge_36 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_37 nve_group pour 50000 1 104 region region_gouge_37 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_38 nve_group pour 50000 1 929 region region_gouge_38 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_39 nve_group pour 50000 1 393 region region_gouge_39 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_40 nve_group pour 50000 1 811 region region_gouge_40 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+
+run 1
+
+set group nve_group density/disc 2.5
+fix integr nve_group nve/sphere disc
+fix makeit2d all enforce2d
+
+thermo 1
+thermo_modify lost ignore norm no
+
+# Unfix particle insertion
+
+unfix ins_1
+unfix ins_2
+unfix ins_3
+unfix ins_4
+unfix ins_5
+unfix ins_6
+unfix ins_7
+unfix ins_8
+unfix ins_9
+unfix ins_10
+unfix ins_11
+unfix ins_12
+unfix ins_13
+unfix ins_14
+unfix ins_15
+unfix ins_16
+unfix ins_17
+unfix ins_18
+unfix ins_19
+unfix ins_20
+unfix ins_21
+unfix ins_22
+unfix ins_23
+unfix ins_24
+unfix ins_25
+unfix ins_26
+unfix ins_27
+unfix ins_28
+unfix ins_29
+unfix ins_30
+unfix ins_31
+unfix ins_32
+unfix ins_33
+unfix ins_34
+unfix ins_35
+unfix ins_36
+unfix ins_37
+unfix ins_38
+unfix ins_39
+unfix ins_40
+
+run 100 upto
+
+# Set gouge layer grain density
+set group all density/disc 2.5
+
+# Apply NVE integration to all particles
+fix integr all nve/sphere disc
+
+# Output settings
+compute 1 all erotate/sphere
+compute 2 all contact/atom
+compute 3 all ke
+
+variable Sxx equal pxx
+variable Syy equal pyy
+variable TotalPressure equal (v_Sxx+v_Syy)/2.0
+
+thermo_style custom step atoms ke pxx pyy v_TotalPressure ly
+thermo 50000
+thermo_modify lost ignore norm no
+
+set group all density/disc 2.5
+
+# Stop the confining pressure once the pressure is superior to the desired pressure
+fix condition all halt 1 v_Syy > ${confinement_pressure} error continue
+fix def all deform 1 x erate -50 y erate -50 z erate 0
+
+run 1500000
+unfix def
+unfix condition
+
+run 10000
+
+# Check if the pressure does not decrease
+label loopa
+variable a loop 1000
+ label loopb
+ variable P equal pyy
+ variable b loop 1000
+ if "${P} > ${confinement_pressure}" then "jump SELF break"
+ fix def all deform 1 x erate -10 y erate -10 z erate 0
+ run 1000
+ unfix def
+ run 10000
+ next b
+ jump SELF loopb
+ label break
+ variable b delete
+if "${P} > ${confinement_pressure}" then "jump SELF break2"
+next a
+jump SELF loopa
+label break2
+print "Over"
+
+restart 1000000 confined.restart confined2.restart
+
+run 1000000
+
+write_data box_confined.data
\ No newline at end of file
diff --git a/DATASET/P=130000Pa/2_shear.in b/DATASET/P=130000Pa/2_shear.in
new file mode 100644
index 0000000..1547629
--- /dev/null
+++ b/DATASET/P=130000Pa/2_shear.in
@@ -0,0 +1,36 @@
+read_restart confined.restart
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+
+fix 2 all deform 1 xy erate ${rate}
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+
+write_data box_sheared.data
+
diff --git a/DATASET/P=130000Pa/StrainStress.txt b/DATASET/P=130000Pa/StrainStress.txt
new file mode 100644
index 0000000..7639cce
--- /dev/null
+++ b/DATASET/P=130000Pa/StrainStress.txt
@@ -0,0 +1,999 @@
+# Fix print output for fix output_file
+1.11325527307097e-05 -3615.2259096641964788
+0.000111325527307565 -3850.3655050577513066
+0.00021151850188442 -4085.4748873905423352
+0.000311711476461275 -4320.550770082822055
+0.00041190445103813 -4555.6200999604261597
+0.000512097425614985 -4790.6698674902736457
+0.00061229040019184 -5025.6859298686476905
+0.000712483374768695 -5260.657962264282105
+0.000812676349345395 -5495.5740587110458364
+0.00091286932392225 -5730.4125244318929617
+0.0010130622984991 -5965.1494359999196604
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diff --git a/DATASET/P=130000Pa/box_confined.data b/DATASET/P=130000Pa/box_confined.data
new file mode 100644
index 0000000..9fbf644
--- /dev/null
+++ b/DATASET/P=130000Pa/box_confined.data
@@ -0,0 +1,494 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2272248
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diff --git a/DATASET/P=130000Pa/box_sheared.data b/DATASET/P=130000Pa/box_sheared.data
new file mode 100644
index 0000000..2c6fe89
--- /dev/null
+++ b/DATASET/P=130000Pa/box_sheared.data
@@ -0,0 +1,495 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2224567
+
+240 atoms
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diff --git a/DATASET/P=130000Pa/confined.restart b/DATASET/P=130000Pa/confined.restart
new file mode 100644
index 0000000..ab9f406
Binary files /dev/null and b/DATASET/P=130000Pa/confined.restart differ
diff --git a/DATASET/P=130000Pa/log.lammps b/DATASET/P=130000Pa/log.lammps
new file mode 100644
index 0000000..d0d2cf3
--- /dev/null
+++ b/DATASET/P=130000Pa/log.lammps
@@ -0,0 +1,148 @@
+LAMMPS (29 Sep 2021 - Update 3)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
+ using 1 OpenMP thread(s) per MPI task
+read_restart confined.restart
+Reading restart file ...
+ restart file = 29 Sep 2021, LAMMPS = 29 Sep 2021
+ restoring atom style sphere from restart
+ orthogonal box = (0.027734895 0.027734895 -0.00050000000) to (0.072265105 0.072265105 0.00050000000)
+ 1 by 1 by 1 MPI processor grid
+ restoring pair style gran/hertz/history from restart
+ 240 atoms
+ read_restart CPU = 0.002 seconds
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable nb_step equal 224567
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+variable print_freq equal 225
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+Changing box ...
+ triclinic box = (0.027734895 0.027734895 -0.00050000000) to (0.072265105 0.072265105 0.00050000000) with tilt (0.0000000 0.0000000 0.0000000)
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+timestep 0.01
+
+fix 2 all deform 1 xy erate ${rate}
+fix 2 all deform 1 xy erate 4.45302109230388e-05
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+fix output_file all print 225 "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+run 224567
+Resetting global fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+Resetting peratom fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+All restart file global fix info was re-assigned
+All restart file peratom fix info was re-assigned
+Neighbor list info ...
+ update every 1 steps, delay 10 steps, check yes
+ max neighbors/atom: 2000, page size: 100000
+ master list distance cutoff = 0.0045
+ ghost atom cutoff = 0.0045
+ binsize = 0.00225, bins = 20 20 1
+ 1 neighbor lists, perpetual/occasional/extra = 1 0 0
+ (1) pair gran/hertz/history, perpetual
+ attributes: half, newton on, size, history
+ pair build: half/size/bin/newton/tri
+ stencil: half/bin/2d/tri
+ bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.981 | 9.981 | 9.981 Mbytes
+Step Atoms Lx Xy Pxy v_eps v_nb_step
+ 2000000 240 0.044530211 0 -3590.1428 0 224567
+ 2005000 240 0.044530211 9.9146984e-05 -8806.5544 0.0022265105 224567
+ 2010000 240 0.044530211 0.00019829397 -14013.212 0.0044530211 224567
+ 2015000 240 0.044530211 0.00029744095 -19213.328 0.0066795316 224567
+ 2020000 240 0.044530211 0.00039658794 -24392.872 0.0089060422 224567
+ 2025000 240 0.044530211 0.00049573492 -29558.342 0.011132553 224567
+ 2030000 240 0.044530211 0.00059488191 -34706.775 0.013359063 224567
+ 2035000 240 0.044530211 0.00069402889 -39854.394 0.015585574 224567
+ 2040000 240 0.044530211 0.00079317587 -45012.889 0.017812084 224567
+ 2045000 240 0.044530211 0.00089232286 -50177.771 0.020038595 224567
+ 2050000 240 0.044530211 0.00099146984 -55340.666 0.022265105 224567
+ 2055000 240 0.044530211 0.0010906168 -60484.531 0.024491616 224567
+ 2060000 240 0.044530211 0.0011897638 -65616.782 0.026718127 224567
+ 2065000 240 0.044530211 0.0012889108 -70740.817 0.028944637 224567
+ 2070000 240 0.044530211 0.0013880578 -75863.766 0.031171148 224567
+ 2075000 240 0.044530211 0.0014872048 -80988.434 0.033397658 224567
+ 2080000 240 0.044530211 0.0015863517 -86104.175 0.035624169 224567
+ 2085000 240 0.044530211 0.0016854987 -91200.754 0.037850679 224567
+ 2090000 240 0.044530211 0.0017846457 -96298.391 0.04007719 224567
+ 2095000 240 0.044530211 0.0018837927 -101384.72 0.0423037 224567
+ 2100000 240 0.044530211 0.0019829397 -106455.63 0.044530211 224567
+ 2105000 240 0.044530211 0.0020820867 -111529.21 0.046756721 224567
+ 2110000 240 0.044530211 0.0021812337 -116604.58 0.048983232 224567
+ 2115000 240 0.044530211 0.0022803806 -121677.05 0.051209743 224567
+ 2120000 240 0.044530211 0.0023795276 -126753.74 0.053436253 224567
+ 2125000 240 0.044530211 0.0024786746 -131821.35 0.055662764 224567
+ 2130000 240 0.044530211 0.0025778216 -136878.08 0.057889274 224567
+ 2135000 240 0.044530211 0.0026769686 -141942.63 0.060115785 224567
+ 2140000 240 0.044530211 0.0027761156 -147018.86 0.062342295 224567
+ 2145000 240 0.044530211 0.0028752625 -152104.53 0.064568806 224567
+ 2150000 240 0.044530211 0.0029744095 -157204.69 0.066795316 224567
+ 2155000 240 0.044530211 0.0030735565 -162313.6 0.069021827 224567
+ 2160000 240 0.044530211 0.0031727035 -167429.18 0.071248337 224567
+ 2165000 240 0.044530211 0.0032718505 -172547.23 0.073474848 224567
+ 2170000 240 0.044530211 0.0033709975 -177676.64 0.075701359 224567
+ 2175000 240 0.044530211 0.0034701444 -182835.72 0.077927869 224567
+ 2180000 240 0.044530211 0.0035692914 -188025.05 0.08015438 224567
+ 2185000 240 0.044530211 0.0036684384 -193241.21 0.08238089 224567
+ 2190000 240 0.044530211 0.0037675854 -198482.47 0.084607401 224567
+ 2195000 240 0.044530211 0.0038667324 -203743.99 0.086833911 224567
+ 2200000 240 0.044530211 0.0039658794 -209029.79 0.089060422 224567
+ 2205000 240 0.044530211 0.0040650264 -214337.95 0.091286932 224567
+ 2210000 240 0.044530211 0.0041641733 -219669.82 0.093513443 224567
+ 2215000 240 0.044530211 0.0042633203 -225031.59 0.095739953 224567
+ 2220000 240 0.044530211 0.0043624673 -230427.75 0.097966464 224567
+ 2224567 240 0.044530211 0.0044530282 -235382.88 0.10000016 224567
+Loop time of 5.67428 on 1 procs for 224567 steps with 240 atoms
+
+100.0% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 4.2426 | 4.2426 | 4.2426 | 0.0 | 74.77
+Neigh | 0.00077319 | 0.00077319 | 0.00077319 | 0.0 | 0.01
+Comm | 0.56022 | 0.56022 | 0.56022 | 0.0 | 9.87
+Output | 0.0068455 | 0.0068455 | 0.0068455 | 0.0 | 0.12
+Modify | 0.6365 | 0.6365 | 0.6365 | 0.0 | 11.22
+Other | | 0.2274 | | | 4.01
+
+Nlocal: 240.000 ave 240 max 240 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost: 112.000 ave 112 max 112 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs: 702.000 ave 702 max 702 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 702
+Ave neighs/atom = 2.9250000
+Neighbor list builds = 17
+Dangerous builds = 0
+
+write_data box_sheared.data
+System init for write_data ...
+
+Total wall time: 0:00:05
diff --git a/DATASET/P=140000Pa/1_generate_conf_140000Pa.in b/DATASET/P=140000Pa/1_generate_conf_140000Pa.in
new file mode 100644
index 0000000..f38cdaa
--- /dev/null
+++ b/DATASET/P=140000Pa/1_generate_conf_140000Pa.in
@@ -0,0 +1,265 @@
+atom_style sphere
+atom_modify map array
+dimension 2
+boundary p p p
+newton off
+comm_modify vel yes
+units si
+
+region reg block 0.0 0.1 0 0.1 -0.0005 0.0005 units box
+variable confinement_pressure equal 140000
+
+# How many grain/atom types
+create_box 6 reg
+
+# Size of bins for more efficiently searching for grain contacts.
+neighbor 0.001 bin
+
+# Reconstruct the neighbor list without any delay, every time-step
+neigh_modify delay 0
+
+# Glass marbles, tangential force
+pair_style gran/hertz/history 36630036630.0 0.0 0.2 NULL 0.0 0
+
+pair_coeff * *
+
+timestep 1e-8
+
+fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
+
+# Particle insertion in regions
+
+region region_gouge_1 block 0.00 0.1 0.0000 0.0025 -0.0005 0.0005 units box
+region region_gouge_2 block 0.00 0.1 0.0025 0.0050 -0.0005 0.0005 units box
+region region_gouge_3 block 0.00 0.1 0.0050 0.0075 -0.0005 0.0005 units box
+region region_gouge_4 block 0.00 0.1 0.0075 0.0100 -0.0005 0.0005 units box
+region region_gouge_5 block 0.00 0.1 0.0100 0.0125 -0.0005 0.0005 units box
+region region_gouge_6 block 0.00 0.1 0.0125 0.0150 -0.0005 0.0005 units box
+region region_gouge_7 block 0.00 0.1 0.0150 0.0175 -0.0005 0.0005 units box
+region region_gouge_8 block 0.00 0.1 0.0175 0.0200 -0.0005 0.0005 units box
+region region_gouge_9 block 0.00 0.1 0.0200 0.0225 -0.0005 0.0005 units box
+region region_gouge_10 block 0.00 0.1 0.0225 0.0250 -0.0005 0.0005 units box
+region region_gouge_11 block 0.00 0.1 0.0250 0.0275 -0.0005 0.0005 units box
+region region_gouge_12 block 0.00 0.1 0.0275 0.0300 -0.0005 0.0005 units box
+region region_gouge_13 block 0.00 0.1 0.0300 0.0325 -0.0005 0.0005 units box
+region region_gouge_14 block 0.00 0.1 0.0325 0.0350 -0.0005 0.0005 units box
+region region_gouge_15 block 0.00 0.1 0.0350 0.0375 -0.0005 0.0005 units box
+region region_gouge_16 block 0.00 0.1 0.0375 0.0400 -0.0005 0.0005 units box
+region region_gouge_17 block 0.00 0.1 0.0400 0.0425 -0.0005 0.0005 units box
+region region_gouge_18 block 0.00 0.1 0.0425 0.0450 -0.0005 0.0005 units box
+region region_gouge_19 block 0.00 0.1 0.0450 0.0475 -0.0005 0.0005 units box
+region region_gouge_20 block 0.00 0.1 0.0475 0.0500 -0.0005 0.0005 units box
+region region_gouge_21 block 0.00 0.1 0.0500 0.0525 -0.0005 0.0005 units box
+region region_gouge_22 block 0.00 0.1 0.0525 0.0550 -0.0005 0.0005 units box
+region region_gouge_23 block 0.00 0.1 0.0550 0.0575 -0.0005 0.0005 units box
+region region_gouge_24 block 0.00 0.1 0.0575 0.0600 -0.0005 0.0005 units box
+region region_gouge_25 block 0.00 0.1 0.0600 0.0625 -0.0005 0.0005 units box
+region region_gouge_26 block 0.00 0.1 0.0625 0.0650 -0.0005 0.0005 units box
+region region_gouge_27 block 0.00 0.1 0.0650 0.0675 -0.0005 0.0005 units box
+region region_gouge_28 block 0.00 0.1 0.0675 0.0700 -0.0005 0.0005 units box
+region region_gouge_29 block 0.00 0.1 0.0700 0.0725 -0.0005 0.0005 units box
+region region_gouge_30 block 0.00 0.1 0.0725 0.0750 -0.0005 0.0005 units box
+region region_gouge_31 block 0.00 0.1 0.0750 0.0775 -0.0005 0.0005 units box
+region region_gouge_32 block 0.00 0.1 0.0775 0.0800 -0.0005 0.0005 units box
+region region_gouge_33 block 0.00 0.1 0.0800 0.0825 -0.0005 0.0005 units box
+region region_gouge_34 block 0.00 0.1 0.0825 0.0850 -0.0005 0.0005 units box
+region region_gouge_35 block 0.00 0.1 0.0850 0.0875 -0.0005 0.0005 units box
+region region_gouge_36 block 0.00 0.1 0.0875 0.0900 -0.0005 0.0005 units box
+region region_gouge_37 block 0.00 0.1 0.0900 0.0925 -0.0005 0.0005 units box
+region region_gouge_38 block 0.00 0.1 0.0925 0.0950 -0.0005 0.0005 units box
+region region_gouge_39 block 0.00 0.1 0.0950 0.0975 -0.0005 0.0005 units box
+region region_gouge_40 block 0.00 0.1 0.0975 0.1000 -0.0005 0.0005 units box
+
+group nve_group region region_gouge_1
+group nve_group region region_gouge_2
+group nve_group region region_gouge_3
+group nve_group region region_gouge_4
+group nve_group region region_gouge_5
+group nve_group region region_gouge_6
+group nve_group region region_gouge_7
+group nve_group region region_gouge_8
+group nve_group region region_gouge_9
+group nve_group region region_gouge_10
+group nve_group region region_gouge_11
+group nve_group region region_gouge_12
+group nve_group region region_gouge_13
+group nve_group region region_gouge_14
+group nve_group region region_gouge_15
+group nve_group region region_gouge_16
+group nve_group region region_gouge_17
+group nve_group region region_gouge_18
+group nve_group region region_gouge_19
+group nve_group region region_gouge_20
+group nve_group region region_gouge_21
+group nve_group region region_gouge_22
+group nve_group region region_gouge_23
+group nve_group region region_gouge_24
+group nve_group region region_gouge_25
+group nve_group region region_gouge_26
+group nve_group region region_gouge_27
+group nve_group region region_gouge_28
+group nve_group region region_gouge_29
+group nve_group region region_gouge_30
+group nve_group region region_gouge_31
+group nve_group region region_gouge_32
+group nve_group region region_gouge_33
+group nve_group region region_gouge_34
+group nve_group region region_gouge_35
+group nve_group region region_gouge_36
+group nve_group region region_gouge_37
+group nve_group region region_gouge_38
+group nve_group region region_gouge_39
+group nve_group region region_gouge_40
+
+fix ins_1 nve_group pour 50000 1 246 region region_gouge_1 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_2 nve_group pour 50000 1 176 region region_gouge_2 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_3 nve_group pour 50000 1 39 region region_gouge_3 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_4 nve_group pour 50000 1 477 region region_gouge_4 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_5 nve_group pour 50000 1 682 region region_gouge_5 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_6 nve_group pour 50000 1 759 region region_gouge_6 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_7 nve_group pour 50000 1 538 region region_gouge_7 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_8 nve_group pour 50000 1 867 region region_gouge_8 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_9 nve_group pour 50000 1 818 region region_gouge_9 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_10 nve_group pour 50000 1 921 region region_gouge_10 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_11 nve_group pour 50000 1 408 region region_gouge_11 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_12 nve_group pour 50000 1 525 region region_gouge_12 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_13 nve_group pour 50000 1 828 region region_gouge_13 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_14 nve_group pour 50000 1 506 region region_gouge_14 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_15 nve_group pour 50000 1 903 region region_gouge_15 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_16 nve_group pour 50000 1 825 region region_gouge_16 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_17 nve_group pour 50000 1 36 region region_gouge_17 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_18 nve_group pour 50000 1 685 region region_gouge_18 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_19 nve_group pour 50000 1 20 region region_gouge_19 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_20 nve_group pour 50000 1 321 region region_gouge_20 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_21 nve_group pour 50000 1 776 region region_gouge_21 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_22 nve_group pour 50000 1 512 region region_gouge_22 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_23 nve_group pour 50000 1 400 region region_gouge_23 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_24 nve_group pour 50000 1 654 region region_gouge_24 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_25 nve_group pour 50000 1 972 region region_gouge_25 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_26 nve_group pour 50000 1 883 region region_gouge_26 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_27 nve_group pour 50000 1 471 region region_gouge_27 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_28 nve_group pour 50000 1 143 region region_gouge_28 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_29 nve_group pour 50000 1 92 region region_gouge_29 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_30 nve_group pour 50000 1 354 region region_gouge_30 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_31 nve_group pour 50000 1 834 region region_gouge_31 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_32 nve_group pour 50000 1 800 region region_gouge_32 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_33 nve_group pour 50000 1 727 region region_gouge_33 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_34 nve_group pour 50000 1 959 region region_gouge_34 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_35 nve_group pour 50000 1 854 region region_gouge_35 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_36 nve_group pour 50000 1 51 region region_gouge_36 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_37 nve_group pour 50000 1 665 region region_gouge_37 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_38 nve_group pour 50000 1 698 region region_gouge_38 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_39 nve_group pour 50000 1 575 region region_gouge_39 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_40 nve_group pour 50000 1 190 region region_gouge_40 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+
+run 1
+
+set group nve_group density/disc 2.5
+fix integr nve_group nve/sphere disc
+fix makeit2d all enforce2d
+
+thermo 1
+thermo_modify lost ignore norm no
+
+# Unfix particle insertion
+
+unfix ins_1
+unfix ins_2
+unfix ins_3
+unfix ins_4
+unfix ins_5
+unfix ins_6
+unfix ins_7
+unfix ins_8
+unfix ins_9
+unfix ins_10
+unfix ins_11
+unfix ins_12
+unfix ins_13
+unfix ins_14
+unfix ins_15
+unfix ins_16
+unfix ins_17
+unfix ins_18
+unfix ins_19
+unfix ins_20
+unfix ins_21
+unfix ins_22
+unfix ins_23
+unfix ins_24
+unfix ins_25
+unfix ins_26
+unfix ins_27
+unfix ins_28
+unfix ins_29
+unfix ins_30
+unfix ins_31
+unfix ins_32
+unfix ins_33
+unfix ins_34
+unfix ins_35
+unfix ins_36
+unfix ins_37
+unfix ins_38
+unfix ins_39
+unfix ins_40
+
+run 100 upto
+
+# Set gouge layer grain density
+set group all density/disc 2.5
+
+# Apply NVE integration to all particles
+fix integr all nve/sphere disc
+
+# Output settings
+compute 1 all erotate/sphere
+compute 2 all contact/atom
+compute 3 all ke
+
+variable Sxx equal pxx
+variable Syy equal pyy
+variable TotalPressure equal (v_Sxx+v_Syy)/2.0
+
+thermo_style custom step atoms ke pxx pyy v_TotalPressure ly
+thermo 50000
+thermo_modify lost ignore norm no
+
+set group all density/disc 2.5
+
+# Stop the confining pressure once the pressure is superior to the desired pressure
+fix condition all halt 1 v_Syy > ${confinement_pressure} error continue
+fix def all deform 1 x erate -50 y erate -50 z erate 0
+
+run 1500000
+unfix def
+unfix condition
+
+run 10000
+
+# Check if the pressure does not decrease
+label loopa
+variable a loop 1000
+ label loopb
+ variable P equal pyy
+ variable b loop 1000
+ if "${P} > ${confinement_pressure}" then "jump SELF break"
+ fix def all deform 1 x erate -10 y erate -10 z erate 0
+ run 1000
+ unfix def
+ run 10000
+ next b
+ jump SELF loopb
+ label break
+ variable b delete
+if "${P} > ${confinement_pressure}" then "jump SELF break2"
+next a
+jump SELF loopa
+label break2
+print "Over"
+
+restart 1000000 confined.restart confined2.restart
+
+run 1000000
+
+write_data box_confined.data
\ No newline at end of file
diff --git a/DATASET/P=140000Pa/2_shear.in b/DATASET/P=140000Pa/2_shear.in
new file mode 100644
index 0000000..1547629
--- /dev/null
+++ b/DATASET/P=140000Pa/2_shear.in
@@ -0,0 +1,36 @@
+read_restart confined.restart
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+
+fix 2 all deform 1 xy erate ${rate}
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+
+write_data box_sheared.data
+
diff --git a/DATASET/P=140000Pa/StrainStress.txt b/DATASET/P=140000Pa/StrainStress.txt
new file mode 100644
index 0000000..10dccdf
--- /dev/null
+++ b/DATASET/P=140000Pa/StrainStress.txt
@@ -0,0 +1,1003 @@
+# Fix print output for fix output_file
+9.07782000006683e-06 -7825.1205915424006889
+0.000108933840000038 -8073.0680703663329041
+0.000208789860000008 -8321.0135656076927262
+0.000308645879999979 -8568.962150679250044
+0.00040850189999995 -8816.9171179856384697
+0.000508357920000074 -9064.8724474132959585
+0.000608213940000045 -9312.8210678363120678
+0.000708069960000015 -9560.7528102177566325
+0.000807925979999986 -9808.660257254006865
+0.000907781999999957 -10056.55258165388841
+0.00100763801999993 -10304.433811710550799
+0.00110749404000005 -10552.294597984162465
+0.00120735006000002 -10800.15128453759462
+0.00130720607999999 -11048.006367257323291
+0.00140706209999996 -11295.857999637617468
+0.00150691811999993 -11543.701010612587197
+0.00160677414000006 -11791.5317490814341
+0.00170663016000003 -12039.346759087859027
+0.00180648618 -12287.142568373525137
+0.00190634219999997 -12534.915572899295512
+0.00200619821999994 -12782.661922614091964
+0.00210605424000006 -13030.377356506058277
+0.00220591026000004 -13278.056885297084591
+0.00230576628000001 -13525.693889400459739
+0.00240562229999998 -13773.27536252020036
+0.00250547831999995 -14020.804493346793606
+0.00260533434000007 -14268.281232722332788
+0.00270519036000004 -14515.715407543497349
+0.00280504638000001 -14763.106731218016648
+0.00290490239999998 -15010.452387852308675
+0.00300475841999996 -15257.728302346624332
+0.00310461443999993 -15505.006489377337857
+0.00320447046000005 -15752.278560962922711
+0.00330432648000002 -15999.53533145712754
+0.00340418249999999 -16246.769937780643886
+0.00350403851999996 -16493.97544585833748
+0.00360389453999993 -16741.142758756035619
+0.00370375056000006 -16988.250211302834941
+0.00380360658000003 -17235.318515471673891
+0.0039034626 -17482.35987422803737
+0.00400331861999997 -17729.370170119669638
+0.00410317463999994 -17976.344913599139545
+0.00420303066000006 -18223.296208823634515
+0.00430288668000003 -18470.211349313012761
+0.0044027427 -18717.072365717460343
+0.00450259871999998 -18963.892728770370013
+0.00460245473999995 -19210.663964617197053
+0.00470231076000007 -19457.361338818482182
+0.00480216678000004 -19703.980087376869051
+0.00490202280000001 -19950.576946564397076
+0.00500187881999998 -20197.14911535241481
+0.00510173483999995 -20443.693748929392314
+0.00520159086000008 -20690.207920402441232
+0.00530144688000005 -20936.688580017362256
+0.00540130290000002 -21183.132506427737098
+0.00550115891999999 -21429.536242870857677
+0.00560101493999996 -21675.896006775150454
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+0.00580072698000005 -22168.549943216341489
+0.00590058300000003 -22414.836559439117991
+0.00600043902 -22661.07416305492734
+0.00610029503999997 -22907.244882574872463
+0.00620015105999994 -23153.31860541869537
+0.00630000708000006 -23399.341819976674742
+0.00639986310000003 -23645.305545608011016
+0.00649971912 -23891.183539986050164
+0.00659957513999997 -24137.022250251560763
+0.00669943115999994 -24382.89640499993402
+0.00679928718000007 -24628.782589584665402
+0.00689914320000004 -24874.663833869872178
+0.00699899922000001 -25120.530256243866461
+0.00709885523999998 -25366.372680916010722
+0.00719871125999995 -25612.17783419168336
+0.00729856728000007 -25857.92779947911913
+0.00739842330000005 -26103.658318977762974
+0.00749827932000002 -26349.3673760281672
+0.00759813533999999 -26595.050855321118433
+0.00769799135999996 -26840.704313345220726
+0.00779784737999993 -27086.322640495392989
+0.00789770340000005 -27331.915868750675145
+0.00799755942000002 -27577.519723684410565
+0.00809741543999999 -27823.079511475800246
+0.00819727145999996 -28068.625149238490849
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+0.00839698350000006 -28559.69112092953219
+0.00849683952000003 -28805.20041112502804
+0.00859669554 -29050.686969082584255
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+0.00889626360000007 -29786.945967362047668
+0.00899611962000004 -30032.256538930167153
+0.00909597564000001 -30277.534707630609773
+0.00919583165999998 -30522.782571950610873
+0.00929568767999995 -30767.995620270074141
+0.00939554370000007 -31013.168295176663378
+0.00949539972000004 -31258.292558177283354
+0.00959525574000001 -31503.34980293697663
+0.00969511175999999 -31748.373654393119068
+0.00979496777999996 -31993.383851540143951
+0.00989482379999993 -32238.383498611685354
+0.00999467982000005 -32483.362843949125818
+0.01009453584 -32728.324708323048981
+0.01019439186 -32973.267346391963656
+0.01029424788 -33218.187433076593152
+0.0103941038999999 -33463.081818394537549
+0.0104939599200001 -33707.94743015642598
+0.01059381594 -33952.781201436817355
+0.01069367196 -34197.580001975868072
+0.01079352798 -34442.340552999638021
+0.0108933839999999 -34687.059284420982294
+0.0109932400200001 -34931.731984191108495
+0.01109309604 -35176.351445771178987
+0.01119295206 -35420.915560881468991
+0.01129280808 -35665.429426092974609
+0.0113926640999999 -35909.88864120170183
+0.0114925201200001 -36154.287453546116012
+0.01159237614 -36398.615473001351347
+0.01169223216 -36642.858283899404341
+0.01179208818 -36887.047546339890687
+0.0118919442 -37131.18121653538401
+0.0119918002199999 -37375.254939920770994
+0.01209165624 -37619.260563961055595
+0.01219151226 -37863.201381209139072
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+0.0125909363400001 -38838.289981105197512
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+0.0133897845 -40784.04752717033989
+0.0134896405199999 -41026.906419999017089
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+0.01378920858 -41755.078857491047529
+0.0138890646 -41997.650271962476836
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+0.01418863266 -42724.880854464849108
+0.01428848868 -42967.115636889771849
+0.0143883447 -43209.271807231991261
+0.01448820072 -43451.336478938683285
+0.0145880567399999 -43693.276371132713393
+0.0146879127600001 -43935.08672213715181
+0.01478776878 -44176.847532428757404
+0.0148876248 -44418.557474712761177
+0.01498748082 -44660.21348608910921
+0.0150873368399999 -44901.81226458389574
+0.0151871928600001 -45143.350152377170161
+0.01528704888 -45384.822911349139758
+0.0153869049 -45626.225164137118554
+0.01548676092 -45867.547737772714754
+0.0155866169399999 -46108.779822822994902
+0.0156864729600001 -46349.941691384745354
+0.01578632898 -46591.02852450512728
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diff --git a/DATASET/P=140000Pa/box_confined.data b/DATASET/P=140000Pa/box_confined.data
new file mode 100644
index 0000000..03b307a
--- /dev/null
+++ b/DATASET/P=140000Pa/box_confined.data
@@ -0,0 +1,494 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2102318
+
+240 atoms
+6 atom types
+
+0.027305450000000002 0.07269455 xlo xhi
+0.027305450000000002 0.07269455 ylo yhi
+-0.0005 0.0005 zlo zhi
+
+Atoms # sphere
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+4 34.642732231182386 62.101833424016924 0 0 0 0
+12 -26.553553764634493 27.111988205484234 0 0 0 0
+3 13.298323173219027 -14.640584651118129 0 0 0 0
+238 -13.287159068655422 -1.04796760415336 0 0 0 0
+229 -4.751145469876392 -29.091651105584383 0 0 0 0
diff --git a/DATASET/P=140000Pa/box_sheared.data b/DATASET/P=140000Pa/box_sheared.data
new file mode 100644
index 0000000..0d43496
--- /dev/null
+++ b/DATASET/P=140000Pa/box_sheared.data
@@ -0,0 +1,495 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2220317
+
+240 atoms
+6 atom types
+
+0.027305450000000002 0.07269455 xlo xhi
+0.027305450000000002 0.07269455 ylo yhi
+-0.0005 0.0005 zlo zhi
+0.004538905617546225 0 0 xy xz yz
+
+Atoms # sphere
+
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diff --git a/DATASET/P=140000Pa/confined.restart b/DATASET/P=140000Pa/confined.restart
new file mode 100644
index 0000000..ecc15b4
Binary files /dev/null and b/DATASET/P=140000Pa/confined.restart differ
diff --git a/DATASET/P=140000Pa/log.lammps b/DATASET/P=140000Pa/log.lammps
new file mode 100644
index 0000000..f1c2602
--- /dev/null
+++ b/DATASET/P=140000Pa/log.lammps
@@ -0,0 +1,148 @@
+LAMMPS (29 Sep 2021 - Update 3)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
+ using 1 OpenMP thread(s) per MPI task
+read_restart confined.restart
+Reading restart file ...
+ restart file = 29 Sep 2021, LAMMPS = 29 Sep 2021
+ restoring atom style sphere from restart
+ orthogonal box = (0.027305450 0.027305450 -0.00050000000) to (0.072694550 0.072694550 0.00050000000)
+ 1 by 1 by 1 MPI processor grid
+ restoring pair style gran/hertz/history from restart
+ 240 atoms
+ read_restart CPU = 0.004 seconds
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable nb_step equal 220317
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+variable print_freq equal 220
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+Changing box ...
+ triclinic box = (0.027305450 0.027305450 -0.00050000000) to (0.072694550 0.072694550 0.00050000000) with tilt (0.0000000 0.0000000 0.0000000)
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+timestep 0.01
+
+fix 2 all deform 1 xy erate ${rate}
+fix 2 all deform 1 xy erate 4.53891e-05
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+fix output_file all print 220 "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+run 220317
+Resetting global fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+Resetting peratom fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+All restart file global fix info was re-assigned
+All restart file peratom fix info was re-assigned
+Neighbor list info ...
+ update every 1 steps, delay 10 steps, check yes
+ max neighbors/atom: 2000, page size: 100000
+ master list distance cutoff = 0.0045
+ ghost atom cutoff = 0.0045
+ binsize = 0.00225, bins = 21 21 1
+ 1 neighbor lists, perpetual/occasional/extra = 1 0 0
+ (1) pair gran/hertz/history, perpetual
+ attributes: half, newton on, size, history
+ pair build: half/size/bin/newton/tri
+ stencil: half/bin/2d/tri
+ bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.981 | 9.981 | 9.981 Mbytes
+Step Atoms Lx Xy Pxy v_eps v_nb_step
+ 2000000 240 0.0453891 0 -7803.7071 0 220317
+ 2005000 240 0.0453891 0.00010300852 -13435.65 0.002269455 220317
+ 2010000 240 0.0453891 0.00020601704 -19053.634 0.00453891 220317
+ 2015000 240 0.0453891 0.00030902556 -24651.136 0.006808365 220317
+ 2020000 240 0.0453891 0.00041203408 -30232.941 0.00907782 220317
+ 2025000 240 0.0453891 0.0005150426 -35798.778 0.011347275 220317
+ 2030000 240 0.0453891 0.00061805112 -41335.924 0.01361673 220317
+ 2035000 240 0.0453891 0.00072105964 -46832.033 0.015886185 220317
+ 2040000 240 0.0453891 0.00082406816 -52286.478 0.01815564 220317
+ 2045000 240 0.0453891 0.00092707668 -57694.333 0.020425095 220317
+ 2050000 240 0.0453891 0.0010300852 -63057.193 0.02269455 220317
+ 2055000 240 0.0453891 0.0011330937 -68380.791 0.024964005 220317
+ 2060000 240 0.0453891 0.0012361022 -73663.742 0.02723346 220317
+ 2065000 240 0.0453891 0.0013391108 -78918.512 0.029502915 220317
+ 2070000 240 0.0453891 0.0014421193 -84160.288 0.03177237 220317
+ 2075000 240 0.0453891 0.0015451278 -89386.817 0.034041825 220317
+ 2080000 240 0.0453891 0.0016481363 -94581.398 0.03631128 220317
+ 2085000 240 0.0453891 0.0017511448 -99753.568 0.038580735 220317
+ 2090000 240 0.0453891 0.0018541534 -104914.66 0.04085019 220317
+ 2095000 240 0.0453891 0.0019571619 -110058.63 0.043119645 220317
+ 2100000 240 0.0453891 0.0020601704 -115205.81 0.0453891 220317
+ 2105000 240 0.0453891 0.0021631789 -120368.14 0.047658555 220317
+ 2110000 240 0.0453891 0.0022661874 -125553.19 0.04992801 220317
+ 2115000 240 0.0453891 0.002369196 -130759.25 0.052197465 220317
+ 2120000 240 0.0453891 0.0024722045 -135981.61 0.05446692 220317
+ 2125000 240 0.0453891 0.002575213 -141219.59 0.056736375 220317
+ 2130000 240 0.0453891 0.0026782215 -146479.82 0.05900583 220317
+ 2135000 240 0.0453891 0.00278123 -151775.82 0.061275285 220317
+ 2140000 240 0.0453891 0.0028842386 -157091.99 0.06354474 220317
+ 2145000 240 0.0453891 0.0029872471 -162439.97 0.065814195 220317
+ 2150000 240 0.0453891 0.0030902556 -167819.59 0.06808365 220317
+ 2155000 240 0.0453891 0.0031932641 -173235.61 0.070353105 220317
+ 2160000 240 0.0453891 0.0032962726 -178681.13 0.07262256 220317
+ 2165000 240 0.0453891 0.0033992812 -184156.96 0.074892015 220317
+ 2170000 240 0.0453891 0.0035022897 -189685.2 0.07716147 220317
+ 2175000 240 0.0453891 0.0036052982 -195259.29 0.079430925 220317
+ 2180000 240 0.0453891 0.0037083067 -200879.11 0.08170038 220317
+ 2185000 240 0.0453891 0.0038113152 -206543.43 0.083969835 220317
+ 2190000 240 0.0453891 0.0039143238 -212248.79 0.08623929 220317
+ 2195000 240 0.0453891 0.0040173323 -217992.8 0.088508745 220317
+ 2200000 240 0.0453891 0.0041203408 -223774.53 0.0907782 220317
+ 2205000 240 0.0453891 0.0042233493 -229593.96 0.093047655 220317
+ 2210000 240 0.0453891 0.0043263578 -235457.68 0.09531711 220317
+ 2215000 240 0.0453891 0.0044293664 -241364.03 0.097586565 220317
+ 2220000 240 0.0453891 0.0045323749 -247308.36 0.09985602 220317
+ 2220317 240 0.0453891 0.0045389056 -247686.49 0.099999903 220317
+Loop time of 5.59208 on 1 procs for 220317 steps with 240 atoms
+
+99.2% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 4.1688 | 4.1688 | 4.1688 | 0.0 | 74.55
+Neigh | 0.00081635 | 0.00081635 | 0.00081635 | 0.0 | 0.01
+Comm | 0.55053 | 0.55053 | 0.55053 | 0.0 | 9.84
+Output | 0.0069611 | 0.0069611 | 0.0069611 | 0.0 | 0.12
+Modify | 0.63566 | 0.63566 | 0.63566 | 0.0 | 11.37
+Other | | 0.2293 | | | 4.10
+
+Nlocal: 240.000 ave 240 max 240 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost: 108.000 ave 108 max 108 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs: 696.000 ave 696 max 696 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 696
+Ave neighs/atom = 2.9000000
+Neighbor list builds = 18
+Dangerous builds = 0
+
+write_data box_sheared.data
+System init for write_data ...
+
+Total wall time: 0:00:05
diff --git a/DATASET/P=150000Pa/1_generate_conf_150000Pa.in b/DATASET/P=150000Pa/1_generate_conf_150000Pa.in
new file mode 100644
index 0000000..b55d56e
--- /dev/null
+++ b/DATASET/P=150000Pa/1_generate_conf_150000Pa.in
@@ -0,0 +1,265 @@
+atom_style sphere
+atom_modify map array
+dimension 2
+boundary p p p
+newton off
+comm_modify vel yes
+units si
+
+region reg block 0.0 0.1 0 0.1 -0.0005 0.0005 units box
+variable confinement_pressure equal 150000
+
+# How many grain/atom types
+create_box 6 reg
+
+# Size of bins for more efficiently searching for grain contacts.
+neighbor 0.001 bin
+
+# Reconstruct the neighbor list without any delay, every time-step
+neigh_modify delay 0
+
+# Glass marbles, tangential force
+pair_style gran/hertz/history 36630036630.0 0.0 0.2 NULL 0.0 0
+
+pair_coeff * *
+
+timestep 1e-8
+
+fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
+
+# Particle insertion in regions
+
+region region_gouge_1 block 0.00 0.1 0.0000 0.0025 -0.0005 0.0005 units box
+region region_gouge_2 block 0.00 0.1 0.0025 0.0050 -0.0005 0.0005 units box
+region region_gouge_3 block 0.00 0.1 0.0050 0.0075 -0.0005 0.0005 units box
+region region_gouge_4 block 0.00 0.1 0.0075 0.0100 -0.0005 0.0005 units box
+region region_gouge_5 block 0.00 0.1 0.0100 0.0125 -0.0005 0.0005 units box
+region region_gouge_6 block 0.00 0.1 0.0125 0.0150 -0.0005 0.0005 units box
+region region_gouge_7 block 0.00 0.1 0.0150 0.0175 -0.0005 0.0005 units box
+region region_gouge_8 block 0.00 0.1 0.0175 0.0200 -0.0005 0.0005 units box
+region region_gouge_9 block 0.00 0.1 0.0200 0.0225 -0.0005 0.0005 units box
+region region_gouge_10 block 0.00 0.1 0.0225 0.0250 -0.0005 0.0005 units box
+region region_gouge_11 block 0.00 0.1 0.0250 0.0275 -0.0005 0.0005 units box
+region region_gouge_12 block 0.00 0.1 0.0275 0.0300 -0.0005 0.0005 units box
+region region_gouge_13 block 0.00 0.1 0.0300 0.0325 -0.0005 0.0005 units box
+region region_gouge_14 block 0.00 0.1 0.0325 0.0350 -0.0005 0.0005 units box
+region region_gouge_15 block 0.00 0.1 0.0350 0.0375 -0.0005 0.0005 units box
+region region_gouge_16 block 0.00 0.1 0.0375 0.0400 -0.0005 0.0005 units box
+region region_gouge_17 block 0.00 0.1 0.0400 0.0425 -0.0005 0.0005 units box
+region region_gouge_18 block 0.00 0.1 0.0425 0.0450 -0.0005 0.0005 units box
+region region_gouge_19 block 0.00 0.1 0.0450 0.0475 -0.0005 0.0005 units box
+region region_gouge_20 block 0.00 0.1 0.0475 0.0500 -0.0005 0.0005 units box
+region region_gouge_21 block 0.00 0.1 0.0500 0.0525 -0.0005 0.0005 units box
+region region_gouge_22 block 0.00 0.1 0.0525 0.0550 -0.0005 0.0005 units box
+region region_gouge_23 block 0.00 0.1 0.0550 0.0575 -0.0005 0.0005 units box
+region region_gouge_24 block 0.00 0.1 0.0575 0.0600 -0.0005 0.0005 units box
+region region_gouge_25 block 0.00 0.1 0.0600 0.0625 -0.0005 0.0005 units box
+region region_gouge_26 block 0.00 0.1 0.0625 0.0650 -0.0005 0.0005 units box
+region region_gouge_27 block 0.00 0.1 0.0650 0.0675 -0.0005 0.0005 units box
+region region_gouge_28 block 0.00 0.1 0.0675 0.0700 -0.0005 0.0005 units box
+region region_gouge_29 block 0.00 0.1 0.0700 0.0725 -0.0005 0.0005 units box
+region region_gouge_30 block 0.00 0.1 0.0725 0.0750 -0.0005 0.0005 units box
+region region_gouge_31 block 0.00 0.1 0.0750 0.0775 -0.0005 0.0005 units box
+region region_gouge_32 block 0.00 0.1 0.0775 0.0800 -0.0005 0.0005 units box
+region region_gouge_33 block 0.00 0.1 0.0800 0.0825 -0.0005 0.0005 units box
+region region_gouge_34 block 0.00 0.1 0.0825 0.0850 -0.0005 0.0005 units box
+region region_gouge_35 block 0.00 0.1 0.0850 0.0875 -0.0005 0.0005 units box
+region region_gouge_36 block 0.00 0.1 0.0875 0.0900 -0.0005 0.0005 units box
+region region_gouge_37 block 0.00 0.1 0.0900 0.0925 -0.0005 0.0005 units box
+region region_gouge_38 block 0.00 0.1 0.0925 0.0950 -0.0005 0.0005 units box
+region region_gouge_39 block 0.00 0.1 0.0950 0.0975 -0.0005 0.0005 units box
+region region_gouge_40 block 0.00 0.1 0.0975 0.1000 -0.0005 0.0005 units box
+
+group nve_group region region_gouge_1
+group nve_group region region_gouge_2
+group nve_group region region_gouge_3
+group nve_group region region_gouge_4
+group nve_group region region_gouge_5
+group nve_group region region_gouge_6
+group nve_group region region_gouge_7
+group nve_group region region_gouge_8
+group nve_group region region_gouge_9
+group nve_group region region_gouge_10
+group nve_group region region_gouge_11
+group nve_group region region_gouge_12
+group nve_group region region_gouge_13
+group nve_group region region_gouge_14
+group nve_group region region_gouge_15
+group nve_group region region_gouge_16
+group nve_group region region_gouge_17
+group nve_group region region_gouge_18
+group nve_group region region_gouge_19
+group nve_group region region_gouge_20
+group nve_group region region_gouge_21
+group nve_group region region_gouge_22
+group nve_group region region_gouge_23
+group nve_group region region_gouge_24
+group nve_group region region_gouge_25
+group nve_group region region_gouge_26
+group nve_group region region_gouge_27
+group nve_group region region_gouge_28
+group nve_group region region_gouge_29
+group nve_group region region_gouge_30
+group nve_group region region_gouge_31
+group nve_group region region_gouge_32
+group nve_group region region_gouge_33
+group nve_group region region_gouge_34
+group nve_group region region_gouge_35
+group nve_group region region_gouge_36
+group nve_group region region_gouge_37
+group nve_group region region_gouge_38
+group nve_group region region_gouge_39
+group nve_group region region_gouge_40
+
+fix ins_1 nve_group pour 50000 1 125 region region_gouge_1 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_2 nve_group pour 50000 1 150 region region_gouge_2 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_3 nve_group pour 50000 1 314 region region_gouge_3 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_4 nve_group pour 50000 1 570 region region_gouge_4 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_5 nve_group pour 50000 1 342 region region_gouge_5 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_6 nve_group pour 50000 1 305 region region_gouge_6 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_7 nve_group pour 50000 1 692 region region_gouge_7 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_8 nve_group pour 50000 1 682 region region_gouge_8 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_9 nve_group pour 50000 1 838 region region_gouge_9 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_10 nve_group pour 50000 1 783 region region_gouge_10 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_11 nve_group pour 50000 1 54 region region_gouge_11 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_12 nve_group pour 50000 1 444 region region_gouge_12 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_13 nve_group pour 50000 1 613 region region_gouge_13 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_14 nve_group pour 50000 1 993 region region_gouge_14 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_15 nve_group pour 50000 1 264 region region_gouge_15 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_16 nve_group pour 50000 1 53 region region_gouge_16 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_17 nve_group pour 50000 1 572 region region_gouge_17 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_18 nve_group pour 50000 1 620 region region_gouge_18 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_19 nve_group pour 50000 1 5 region region_gouge_19 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_20 nve_group pour 50000 1 103 region region_gouge_20 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_21 nve_group pour 50000 1 196 region region_gouge_21 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_22 nve_group pour 50000 1 774 region region_gouge_22 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_23 nve_group pour 50000 1 877 region region_gouge_23 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_24 nve_group pour 50000 1 992 region region_gouge_24 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_25 nve_group pour 50000 1 884 region region_gouge_25 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_26 nve_group pour 50000 1 350 region region_gouge_26 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_27 nve_group pour 50000 1 47 region region_gouge_27 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_28 nve_group pour 50000 1 867 region region_gouge_28 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_29 nve_group pour 50000 1 823 region region_gouge_29 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_30 nve_group pour 50000 1 936 region region_gouge_30 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_31 nve_group pour 50000 1 820 region region_gouge_31 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_32 nve_group pour 50000 1 656 region region_gouge_32 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_33 nve_group pour 50000 1 269 region region_gouge_33 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_34 nve_group pour 50000 1 370 region region_gouge_34 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_35 nve_group pour 50000 1 636 region region_gouge_35 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_36 nve_group pour 50000 1 106 region region_gouge_36 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_37 nve_group pour 50000 1 670 region region_gouge_37 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_38 nve_group pour 50000 1 659 region region_gouge_38 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_39 nve_group pour 50000 1 657 region region_gouge_39 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_40 nve_group pour 50000 1 120 region region_gouge_40 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+
+run 1
+
+set group nve_group density/disc 2.5
+fix integr nve_group nve/sphere disc
+fix makeit2d all enforce2d
+
+thermo 1
+thermo_modify lost ignore norm no
+
+# Unfix particle insertion
+
+unfix ins_1
+unfix ins_2
+unfix ins_3
+unfix ins_4
+unfix ins_5
+unfix ins_6
+unfix ins_7
+unfix ins_8
+unfix ins_9
+unfix ins_10
+unfix ins_11
+unfix ins_12
+unfix ins_13
+unfix ins_14
+unfix ins_15
+unfix ins_16
+unfix ins_17
+unfix ins_18
+unfix ins_19
+unfix ins_20
+unfix ins_21
+unfix ins_22
+unfix ins_23
+unfix ins_24
+unfix ins_25
+unfix ins_26
+unfix ins_27
+unfix ins_28
+unfix ins_29
+unfix ins_30
+unfix ins_31
+unfix ins_32
+unfix ins_33
+unfix ins_34
+unfix ins_35
+unfix ins_36
+unfix ins_37
+unfix ins_38
+unfix ins_39
+unfix ins_40
+
+run 100 upto
+
+# Set gouge layer grain density
+set group all density/disc 2.5
+
+# Apply NVE integration to all particles
+fix integr all nve/sphere disc
+
+# Output settings
+compute 1 all erotate/sphere
+compute 2 all contact/atom
+compute 3 all ke
+
+variable Sxx equal pxx
+variable Syy equal pyy
+variable TotalPressure equal (v_Sxx+v_Syy)/2.0
+
+thermo_style custom step atoms ke pxx pyy v_TotalPressure ly
+thermo 50000
+thermo_modify lost ignore norm no
+
+set group all density/disc 2.5
+
+# Stop the confining pressure once the pressure is superior to the desired pressure
+fix condition all halt 1 v_Syy > ${confinement_pressure} error continue
+fix def all deform 1 x erate -50 y erate -50 z erate 0
+
+run 1500000
+unfix def
+unfix condition
+
+run 10000
+
+# Check if the pressure does not decrease
+label loopa
+variable a loop 1000
+ label loopb
+ variable P equal pyy
+ variable b loop 1000
+ if "${P} > ${confinement_pressure}" then "jump SELF break"
+ fix def all deform 1 x erate -10 y erate -10 z erate 0
+ run 1000
+ unfix def
+ run 10000
+ next b
+ jump SELF loopb
+ label break
+ variable b delete
+if "${P} > ${confinement_pressure}" then "jump SELF break2"
+next a
+jump SELF loopa
+label break2
+print "Over"
+
+restart 1000000 confined.restart confined2.restart
+
+run 1000000
+
+write_data box_confined.data
\ No newline at end of file
diff --git a/DATASET/P=150000Pa/2_shear.in b/DATASET/P=150000Pa/2_shear.in
new file mode 100644
index 0000000..1547629
--- /dev/null
+++ b/DATASET/P=150000Pa/2_shear.in
@@ -0,0 +1,36 @@
+read_restart confined.restart
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+
+fix 2 all deform 1 xy erate ${rate}
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+
+write_data box_sheared.data
+
diff --git a/DATASET/P=150000Pa/StrainStress.txt b/DATASET/P=150000Pa/StrainStress.txt
new file mode 100644
index 0000000..01fcc3d
--- /dev/null
+++ b/DATASET/P=150000Pa/StrainStress.txt
@@ -0,0 +1,1002 @@
+# Fix print output for fix output_file
+4.27967650134181e-05 9964.0417606704722857
+0.000142655883378164 9696.5048893790080911
+0.00024251500174291 9428.9620885020722199
+0.000342374120107656 9161.4174268373681116
+0.000442233238472402 8893.8614842680872243
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diff --git a/DATASET/P=150000Pa/box_confined.data b/DATASET/P=150000Pa/box_confined.data
new file mode 100644
index 0000000..2dd1617
--- /dev/null
+++ b/DATASET/P=150000Pa/box_confined.data
@@ -0,0 +1,494 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2162144
+
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diff --git a/DATASET/P=150000Pa/box_sheared.data b/DATASET/P=150000Pa/box_sheared.data
new file mode 100644
index 0000000..1f439b1
--- /dev/null
+++ b/DATASET/P=150000Pa/box_sheared.data
@@ -0,0 +1,495 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2224316
+
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diff --git a/DATASET/P=150000Pa/confined.restart b/DATASET/P=150000Pa/confined.restart
new file mode 100644
index 0000000..bb64ea2
Binary files /dev/null and b/DATASET/P=150000Pa/confined.restart differ
diff --git a/DATASET/P=150000Pa/log.lammps b/DATASET/P=150000Pa/log.lammps
new file mode 100644
index 0000000..76315e3
--- /dev/null
+++ b/DATASET/P=150000Pa/log.lammps
@@ -0,0 +1,148 @@
+LAMMPS (29 Sep 2021 - Update 3)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
+ using 1 OpenMP thread(s) per MPI task
+read_restart confined.restart
+Reading restart file ...
+ restart file = 29 Sep 2021, LAMMPS = 29 Sep 2021
+ restoring atom style sphere from restart
+ orthogonal box = (0.027710018 0.027710018 -0.00050000000) to (0.072289982 0.072289982 0.00050000000)
+ 1 by 1 by 1 MPI processor grid
+ restoring pair style gran/hertz/history from restart
+ 240 atoms
+ read_restart CPU = 0.001 seconds
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable nb_step equal 224316
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+variable print_freq equal 224
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+Changing box ...
+ triclinic box = (0.027710018 0.027710018 -0.00050000000) to (0.072289982 0.072289982 0.00050000000) with tilt (0.0000000 0.0000000 0.0000000)
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+timestep 0.01
+
+fix 2 all deform 1 xy erate ${rate}
+fix 2 all deform 1 xy erate 4.45799635556896e-05
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+fix output_file all print 224 "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+run 224316
+Resetting global fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+Resetting peratom fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+All restart file global fix info was re-assigned
+All restart file peratom fix info was re-assigned
+Neighbor list info ...
+ update every 1 steps, delay 10 steps, check yes
+ max neighbors/atom: 2000, page size: 100000
+ master list distance cutoff = 0.0045
+ ghost atom cutoff = 0.0045
+ binsize = 0.00225, bins = 20 20 1
+ 1 neighbor lists, perpetual/occasional/extra = 1 0 0
+ (1) pair gran/hertz/history, perpetual
+ attributes: half, newton on, size, history
+ pair build: half/size/bin/newton/tri
+ stencil: half/bin/2d/tri
+ bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.981 | 9.981 | 9.981 Mbytes
+Step Atoms Lx Xy Pxy v_eps v_nb_step
+ 2000000 240 0.044579964 0 10077.5 0 224316
+ 2005000 240 0.044579964 9.9368658e-05 4108.4921 0.0022289982 224316
+ 2010000 240 0.044579964 0.00019873732 -1847.9402 0.0044579964 224316
+ 2015000 240 0.044579964 0.00029810597 -7788.0266 0.0066869945 224316
+ 2020000 240 0.044579964 0.00039747463 -13705.395 0.0089159927 224316
+ 2025000 240 0.044579964 0.00049684329 -19584.74 0.011144991 224316
+ 2030000 240 0.044579964 0.00059621195 -25422.069 0.013373989 224316
+ 2035000 240 0.044579964 0.0006955806 -31212.921 0.015602987 224316
+ 2040000 240 0.044579964 0.00079494926 -36946.966 0.017831985 224316
+ 2045000 240 0.044579964 0.00089431792 -42604.844 0.020060984 224316
+ 2050000 240 0.044579964 0.00099368658 -48186.969 0.022289982 224316
+ 2055000 240 0.044579964 0.0010930552 -53712.755 0.02451898 224316
+ 2060000 240 0.044579964 0.0011924239 -59187.926 0.026747978 224316
+ 2065000 240 0.044579964 0.0012917925 -64597.702 0.028976976 224316
+ 2070000 240 0.044579964 0.0013911612 -69935.866 0.031205974 224316
+ 2075000 240 0.044579964 0.0014905299 -75231.872 0.033434973 224316
+ 2080000 240 0.044579964 0.0015898985 -80485.192 0.035663971 224316
+ 2085000 240 0.044579964 0.0016892672 -85686.877 0.037892969 224316
+ 2090000 240 0.044579964 0.0017886358 -90834.499 0.040121967 224316
+ 2095000 240 0.044579964 0.0018880045 -95929.59 0.042350965 224316
+ 2100000 240 0.044579964 0.0019873732 -100980.03 0.044579964 224316
+ 2105000 240 0.044579964 0.0020867418 -105984.36 0.046808962 224316
+ 2110000 240 0.044579964 0.0021861105 -110952.76 0.04903796 224316
+ 2115000 240 0.044579964 0.0022854791 -115874.25 0.051266958 224316
+ 2120000 240 0.044579964 0.0023848478 -120769 0.053495956 224316
+ 2125000 240 0.044579964 0.0024842164 -125641.68 0.055724954 224316
+ 2130000 240 0.044579964 0.0025835851 -130498.22 0.057953953 224316
+ 2135000 240 0.044579964 0.0026829538 -135341.89 0.060182951 224316
+ 2140000 240 0.044579964 0.0027823224 -140173.12 0.062411949 224316
+ 2145000 240 0.044579964 0.0028816911 -145000.01 0.064640947 224316
+ 2150000 240 0.044579964 0.0029810597 -149822.2 0.066869945 224316
+ 2155000 240 0.044579964 0.0030804284 -154645.1 0.069098944 224316
+ 2160000 240 0.044579964 0.003179797 -159471.42 0.071327942 224316
+ 2165000 240 0.044579964 0.0032791657 -164311.8 0.07355694 224316
+ 2170000 240 0.044579964 0.0033785344 -169168.83 0.075785938 224316
+ 2175000 240 0.044579964 0.003477903 -174038.78 0.078014936 224316
+ 2180000 240 0.044579964 0.0035772717 -178920.33 0.080243934 224316
+ 2185000 240 0.044579964 0.0036766403 -183807.07 0.082472933 224316
+ 2190000 240 0.044579964 0.003776009 -188707.38 0.084701931 224316
+ 2195000 240 0.044579964 0.0038753776 -193619.83 0.086930929 224316
+ 2200000 240 0.044579964 0.0039747463 -198544.09 0.089159927 224316
+ 2205000 240 0.044579964 0.004074115 -203483.41 0.091388925 224316
+ 2210000 240 0.044579964 0.0041734836 -208436.92 0.093617923 224316
+ 2215000 240 0.044579964 0.0042728523 -213402.25 0.095846922 224316
+ 2220000 240 0.044579964 0.0043722209 -218381.28 0.09807592 224316
+ 2224316 240 0.044579964 0.004457996 -222692.23 0.099999991 224316
+Loop time of 5.99007 on 1 procs for 224316 steps with 240 atoms
+
+99.1% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 4.5889 | 4.5889 | 4.5889 | 0.0 | 76.61
+Neigh | 0.00075626 | 0.00075626 | 0.00075626 | 0.0 | 0.01
+Comm | 0.53047 | 0.53047 | 0.53047 | 0.0 | 8.86
+Output | 0.0065849 | 0.0065849 | 0.0065849 | 0.0 | 0.11
+Modify | 0.63793 | 0.63793 | 0.63793 | 0.0 | 10.65
+Other | | 0.2254 | | | 3.76
+
+Nlocal: 240.000 ave 240 max 240 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost: 105.000 ave 105 max 105 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs: 697.000 ave 697 max 697 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 697
+Ave neighs/atom = 2.9041667
+Neighbor list builds = 17
+Dangerous builds = 0
+
+write_data box_sheared.data
+System init for write_data ...
+
+Total wall time: 0:00:06
diff --git a/DATASET/P=160000Pa/1_generate_conf_160000Pa.in b/DATASET/P=160000Pa/1_generate_conf_160000Pa.in
new file mode 100644
index 0000000..23aae1d
--- /dev/null
+++ b/DATASET/P=160000Pa/1_generate_conf_160000Pa.in
@@ -0,0 +1,265 @@
+atom_style sphere
+atom_modify map array
+dimension 2
+boundary p p p
+newton off
+comm_modify vel yes
+units si
+
+region reg block 0.0 0.1 0 0.1 -0.0005 0.0005 units box
+variable confinement_pressure equal 160000
+
+# How many grain/atom types
+create_box 6 reg
+
+# Size of bins for more efficiently searching for grain contacts.
+neighbor 0.001 bin
+
+# Reconstruct the neighbor list without any delay, every time-step
+neigh_modify delay 0
+
+# Glass marbles, tangential force
+pair_style gran/hertz/history 36630036630.0 0.0 0.2 NULL 0.0 0
+
+pair_coeff * *
+
+timestep 1e-8
+
+fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
+
+# Particle insertion in regions
+
+region region_gouge_1 block 0.00 0.1 0.0000 0.0025 -0.0005 0.0005 units box
+region region_gouge_2 block 0.00 0.1 0.0025 0.0050 -0.0005 0.0005 units box
+region region_gouge_3 block 0.00 0.1 0.0050 0.0075 -0.0005 0.0005 units box
+region region_gouge_4 block 0.00 0.1 0.0075 0.0100 -0.0005 0.0005 units box
+region region_gouge_5 block 0.00 0.1 0.0100 0.0125 -0.0005 0.0005 units box
+region region_gouge_6 block 0.00 0.1 0.0125 0.0150 -0.0005 0.0005 units box
+region region_gouge_7 block 0.00 0.1 0.0150 0.0175 -0.0005 0.0005 units box
+region region_gouge_8 block 0.00 0.1 0.0175 0.0200 -0.0005 0.0005 units box
+region region_gouge_9 block 0.00 0.1 0.0200 0.0225 -0.0005 0.0005 units box
+region region_gouge_10 block 0.00 0.1 0.0225 0.0250 -0.0005 0.0005 units box
+region region_gouge_11 block 0.00 0.1 0.0250 0.0275 -0.0005 0.0005 units box
+region region_gouge_12 block 0.00 0.1 0.0275 0.0300 -0.0005 0.0005 units box
+region region_gouge_13 block 0.00 0.1 0.0300 0.0325 -0.0005 0.0005 units box
+region region_gouge_14 block 0.00 0.1 0.0325 0.0350 -0.0005 0.0005 units box
+region region_gouge_15 block 0.00 0.1 0.0350 0.0375 -0.0005 0.0005 units box
+region region_gouge_16 block 0.00 0.1 0.0375 0.0400 -0.0005 0.0005 units box
+region region_gouge_17 block 0.00 0.1 0.0400 0.0425 -0.0005 0.0005 units box
+region region_gouge_18 block 0.00 0.1 0.0425 0.0450 -0.0005 0.0005 units box
+region region_gouge_19 block 0.00 0.1 0.0450 0.0475 -0.0005 0.0005 units box
+region region_gouge_20 block 0.00 0.1 0.0475 0.0500 -0.0005 0.0005 units box
+region region_gouge_21 block 0.00 0.1 0.0500 0.0525 -0.0005 0.0005 units box
+region region_gouge_22 block 0.00 0.1 0.0525 0.0550 -0.0005 0.0005 units box
+region region_gouge_23 block 0.00 0.1 0.0550 0.0575 -0.0005 0.0005 units box
+region region_gouge_24 block 0.00 0.1 0.0575 0.0600 -0.0005 0.0005 units box
+region region_gouge_25 block 0.00 0.1 0.0600 0.0625 -0.0005 0.0005 units box
+region region_gouge_26 block 0.00 0.1 0.0625 0.0650 -0.0005 0.0005 units box
+region region_gouge_27 block 0.00 0.1 0.0650 0.0675 -0.0005 0.0005 units box
+region region_gouge_28 block 0.00 0.1 0.0675 0.0700 -0.0005 0.0005 units box
+region region_gouge_29 block 0.00 0.1 0.0700 0.0725 -0.0005 0.0005 units box
+region region_gouge_30 block 0.00 0.1 0.0725 0.0750 -0.0005 0.0005 units box
+region region_gouge_31 block 0.00 0.1 0.0750 0.0775 -0.0005 0.0005 units box
+region region_gouge_32 block 0.00 0.1 0.0775 0.0800 -0.0005 0.0005 units box
+region region_gouge_33 block 0.00 0.1 0.0800 0.0825 -0.0005 0.0005 units box
+region region_gouge_34 block 0.00 0.1 0.0825 0.0850 -0.0005 0.0005 units box
+region region_gouge_35 block 0.00 0.1 0.0850 0.0875 -0.0005 0.0005 units box
+region region_gouge_36 block 0.00 0.1 0.0875 0.0900 -0.0005 0.0005 units box
+region region_gouge_37 block 0.00 0.1 0.0900 0.0925 -0.0005 0.0005 units box
+region region_gouge_38 block 0.00 0.1 0.0925 0.0950 -0.0005 0.0005 units box
+region region_gouge_39 block 0.00 0.1 0.0950 0.0975 -0.0005 0.0005 units box
+region region_gouge_40 block 0.00 0.1 0.0975 0.1000 -0.0005 0.0005 units box
+
+group nve_group region region_gouge_1
+group nve_group region region_gouge_2
+group nve_group region region_gouge_3
+group nve_group region region_gouge_4
+group nve_group region region_gouge_5
+group nve_group region region_gouge_6
+group nve_group region region_gouge_7
+group nve_group region region_gouge_8
+group nve_group region region_gouge_9
+group nve_group region region_gouge_10
+group nve_group region region_gouge_11
+group nve_group region region_gouge_12
+group nve_group region region_gouge_13
+group nve_group region region_gouge_14
+group nve_group region region_gouge_15
+group nve_group region region_gouge_16
+group nve_group region region_gouge_17
+group nve_group region region_gouge_18
+group nve_group region region_gouge_19
+group nve_group region region_gouge_20
+group nve_group region region_gouge_21
+group nve_group region region_gouge_22
+group nve_group region region_gouge_23
+group nve_group region region_gouge_24
+group nve_group region region_gouge_25
+group nve_group region region_gouge_26
+group nve_group region region_gouge_27
+group nve_group region region_gouge_28
+group nve_group region region_gouge_29
+group nve_group region region_gouge_30
+group nve_group region region_gouge_31
+group nve_group region region_gouge_32
+group nve_group region region_gouge_33
+group nve_group region region_gouge_34
+group nve_group region region_gouge_35
+group nve_group region region_gouge_36
+group nve_group region region_gouge_37
+group nve_group region region_gouge_38
+group nve_group region region_gouge_39
+group nve_group region region_gouge_40
+
+fix ins_1 nve_group pour 50000 1 831 region region_gouge_1 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_2 nve_group pour 50000 1 787 region region_gouge_2 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_3 nve_group pour 50000 1 604 region region_gouge_3 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_4 nve_group pour 50000 1 58 region region_gouge_4 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_5 nve_group pour 50000 1 951 region region_gouge_5 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_6 nve_group pour 50000 1 346 region region_gouge_6 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_7 nve_group pour 50000 1 741 region region_gouge_7 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_8 nve_group pour 50000 1 474 region region_gouge_8 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_9 nve_group pour 50000 1 117 region region_gouge_9 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_10 nve_group pour 50000 1 830 region region_gouge_10 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_11 nve_group pour 50000 1 791 region region_gouge_11 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_12 nve_group pour 50000 1 127 region region_gouge_12 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_13 nve_group pour 50000 1 393 region region_gouge_13 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_14 nve_group pour 50000 1 908 region region_gouge_14 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_15 nve_group pour 50000 1 641 region region_gouge_15 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_16 nve_group pour 50000 1 58 region region_gouge_16 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_17 nve_group pour 50000 1 634 region region_gouge_17 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_18 nve_group pour 50000 1 513 region region_gouge_18 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_19 nve_group pour 50000 1 751 region region_gouge_19 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_20 nve_group pour 50000 1 802 region region_gouge_20 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_21 nve_group pour 50000 1 96 region region_gouge_21 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_22 nve_group pour 50000 1 638 region region_gouge_22 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_23 nve_group pour 50000 1 118 region region_gouge_23 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_24 nve_group pour 50000 1 560 region region_gouge_24 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_25 nve_group pour 50000 1 601 region region_gouge_25 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_26 nve_group pour 50000 1 488 region region_gouge_26 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_27 nve_group pour 50000 1 237 region region_gouge_27 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_28 nve_group pour 50000 1 885 region region_gouge_28 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_29 nve_group pour 50000 1 897 region region_gouge_29 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_30 nve_group pour 50000 1 272 region region_gouge_30 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_31 nve_group pour 50000 1 189 region region_gouge_31 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_32 nve_group pour 50000 1 999 region region_gouge_32 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_33 nve_group pour 50000 1 704 region region_gouge_33 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_34 nve_group pour 50000 1 447 region region_gouge_34 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_35 nve_group pour 50000 1 581 region region_gouge_35 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_36 nve_group pour 50000 1 790 region region_gouge_36 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_37 nve_group pour 50000 1 861 region region_gouge_37 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_38 nve_group pour 50000 1 247 region region_gouge_38 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_39 nve_group pour 50000 1 963 region region_gouge_39 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_40 nve_group pour 50000 1 76 region region_gouge_40 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+
+run 1
+
+set group nve_group density/disc 2.5
+fix integr nve_group nve/sphere disc
+fix makeit2d all enforce2d
+
+thermo 1
+thermo_modify lost ignore norm no
+
+# Unfix particle insertion
+
+unfix ins_1
+unfix ins_2
+unfix ins_3
+unfix ins_4
+unfix ins_5
+unfix ins_6
+unfix ins_7
+unfix ins_8
+unfix ins_9
+unfix ins_10
+unfix ins_11
+unfix ins_12
+unfix ins_13
+unfix ins_14
+unfix ins_15
+unfix ins_16
+unfix ins_17
+unfix ins_18
+unfix ins_19
+unfix ins_20
+unfix ins_21
+unfix ins_22
+unfix ins_23
+unfix ins_24
+unfix ins_25
+unfix ins_26
+unfix ins_27
+unfix ins_28
+unfix ins_29
+unfix ins_30
+unfix ins_31
+unfix ins_32
+unfix ins_33
+unfix ins_34
+unfix ins_35
+unfix ins_36
+unfix ins_37
+unfix ins_38
+unfix ins_39
+unfix ins_40
+
+run 100 upto
+
+# Set gouge layer grain density
+set group all density/disc 2.5
+
+# Apply NVE integration to all particles
+fix integr all nve/sphere disc
+
+# Output settings
+compute 1 all erotate/sphere
+compute 2 all contact/atom
+compute 3 all ke
+
+variable Sxx equal pxx
+variable Syy equal pyy
+variable TotalPressure equal (v_Sxx+v_Syy)/2.0
+
+thermo_style custom step atoms ke pxx pyy v_TotalPressure ly
+thermo 50000
+thermo_modify lost ignore norm no
+
+set group all density/disc 2.5
+
+# Stop the confining pressure once the pressure is superior to the desired pressure
+fix condition all halt 1 v_Syy > ${confinement_pressure} error continue
+fix def all deform 1 x erate -50 y erate -50 z erate 0
+
+run 1500000
+unfix def
+unfix condition
+
+run 10000
+
+# Check if the pressure does not decrease
+label loopa
+variable a loop 1000
+ label loopb
+ variable P equal pyy
+ variable b loop 1000
+ if "${P} > ${confinement_pressure}" then "jump SELF break"
+ fix def all deform 1 x erate -10 y erate -10 z erate 0
+ run 1000
+ unfix def
+ run 10000
+ next b
+ jump SELF loopb
+ label break
+ variable b delete
+if "${P} > ${confinement_pressure}" then "jump SELF break2"
+next a
+jump SELF loopa
+label break2
+print "Over"
+
+restart 1000000 confined.restart confined2.restart
+
+run 1000000
+
+write_data box_confined.data
\ No newline at end of file
diff --git a/DATASET/P=160000Pa/2_shear.in b/DATASET/P=160000Pa/2_shear.in
new file mode 100644
index 0000000..1547629
--- /dev/null
+++ b/DATASET/P=160000Pa/2_shear.in
@@ -0,0 +1,36 @@
+read_restart confined.restart
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+
+fix 2 all deform 1 xy erate ${rate}
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+
+write_data box_sheared.data
+
diff --git a/DATASET/P=160000Pa/StrainStress.txt b/DATASET/P=160000Pa/StrainStress.txt
new file mode 100644
index 0000000..03297ab
--- /dev/null
+++ b/DATASET/P=160000Pa/StrainStress.txt
@@ -0,0 +1,1002 @@
+# Fix print output for fix output_file
+3.8980882362628e-05 -1152.4140024190057829
+0.000138897396924146 -1432.1840897861186477
+0.000238813911485665 -1711.9526230445567307
+0.000338730426047338 -1991.7180086794460294
+0.000438646940608857 -2271.4786224773779395
+0.000538563455170375 -2551.2409462354721654
+0.000638479969731893 -2831.0215703232752276
+0.000738396484293567 -3110.8071086040117734
+0.000838312998855085 -3390.592170289270598
+0.000938229513416604 -3670.3730989002724527
+0.00103814602797812 -3950.1468164384309603
+0.0011380625425398 -4229.9104784519740861
+0.00123797905710131 -4509.6613090956843735
+0.00133789557166283 -4789.3964845930240699
+0.00143781208622451 -5069.1130034374373281
+0.00153772860078602 -5348.8074494676884569
+0.00163764511534754 -5628.4752078801120661
+0.00173756162990906 -5908.1072529680577645
+0.00183747814447073 -6187.7129487564325245
+0.00193739465903225 -6467.2931039454060738
+0.00203731117359377 -6746.8449367542434629
+0.00213722768815544 -7026.3654868072071622
+0.00223714420271696 -7305.8515674947047955
+0.00233706071727848 -7585.2997014854290683
+0.00243697723184 -7864.7060288003331152
+0.00253689374640167 -8144.0661672764235846
+0.00263681026096319 -8423.3749821680230525
+0.00273672677552471 -8702.6261561430565052
+0.00283664329008623 -8981.8112050773961528
+0.0029365598046479 -9260.9159644606152142
+0.00303647631920942 -9539.9090665246203571
+0.00313639283377094 -9818.8331381966363551
+0.00323630934833261 -10097.688361470520249
+0.00333622586289413 -10376.451585517999774
+0.00343614237745565 -10655.10670856382967
+0.00353605889201717 -10933.657794525875943
+0.00363597540657884 -11212.116947025284389
+0.00373589192114036 -11490.54560347052211
+0.00383580843570188 -11768.966985689878129
+0.00393572495026355 -12047.40852251092474
+0.00403564146482507 -12325.851696402511152
+0.00413555797938659 -12604.285556995651859
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+0.00433539100850978 -13161.083984367985977
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+0.00593405524149469 -17613.824277410141804
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+0.00613388827061788 -18170.32584394125297
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+0.00653355432886411 -19283.669230820582015
+0.00663347084342563 -19562.020743234294059
+0.00673338735798715 -19840.369553896547586
+0.00683330387254882 -20118.712186274737178
+0.00693322038711034 -20397.045377722159174
+0.00703313690167186 -20675.365974207674299
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+0.00933121673658787 -27067.834437662328128
+0.00943113325114939 -27345.378283711277618
+0.0095310497657109 -27622.884208656330884
+0.00963096628027242 -27900.350155421703676
+0.0097308827948341 -28177.77396128781038
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+0.0103303818822034 -29841.284905667955172
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+0.0105302149113266 -30395.288192317751964
+0.0106301314258881 -30672.194532112007437
+0.0107300479404496 -30949.042381577546621
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+0.0109298809695728 -31502.539946177341335
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+0.011129713998696 -32055.767807267420721
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+0.0114294635423805 -32885.060986880402197
+0.0115293800569422 -33161.297162330192805
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+0.0129282112608041 -37020.985476490168367
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+0.0131280442899271 -37571.299367843406799
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+0.0133278773190503 -38121.285721384789213
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+0.0136276268627349 -38945.461925100986264
+0.0137275433772965 -39219.951349749593646
+0.0138274598918581 -39494.378575833761715
+0.0139273764064196 -39768.751144954934716
+0.0140272929209812 -40043.067153423246054
+0.0141272094355428 -40317.324603114924685
+0.0142271259501043 -40591.521385594882304
+0.0143270424646658 -40865.655261828600487
+0.0144269589792275 -41139.723835498545668
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diff --git a/DATASET/P=160000Pa/box_confined.data b/DATASET/P=160000Pa/box_confined.data
new file mode 100644
index 0000000..b21b8f8
--- /dev/null
+++ b/DATASET/P=160000Pa/box_confined.data
@@ -0,0 +1,494 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2255822
+
+240 atoms
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diff --git a/DATASET/P=160000Pa/box_sheared.data b/DATASET/P=160000Pa/box_sheared.data
new file mode 100644
index 0000000..912c9f9
--- /dev/null
+++ b/DATASET/P=160000Pa/box_sheared.data
@@ -0,0 +1,495 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2223186
+
+240 atoms
+6 atom types
+
+0.02759719404449294 0.07240280595550705 xlo xhi
+0.02759719404449294 0.07240280595550705 ylo yhi
+-0.0005 0.0005 zlo zhi
+0.0044805546046637335 0 0 xy xz yz
+
+Atoms # sphere
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+202 15.10881516427957 -3.7119846887413552 0 0 0 0
+181 -16.63274352390407 -11.895546800317028 0 0 0 0
+207 -21.16062079951729 18.296749570346556 0 0 0 0
+203 -13.734582091713602 49.40095181475864 0 0 0 0
+197 0.97053125686658 2.3812871041219643 0 0 0 0
+189 12.177843718983782 24.685754665281532 0 0 0 0
+215 -0.36417173417628684 -21.338761241150408 0 0 0 0
+187 -11.157615107245872 10.115786802178231 0 0 0 0
+196 26.4808878080328 -5.431558609937997 0 0 0 0
+211 16.84810457456887 69.08298349123551 0 0 0 0
+204 15.26028368660245 -5.820641660073226 0 0 0 0
+214 -14.386165523145275 29.036208998184573 0 0 0 0
+209 -38.04966191362869 -3.6801215717140274 0 0 0 0
+198 -1.555123986448526 29.53607712263858 0 0 0 0
+205 14.102441342295858 6.8277516511830365 0 0 0 0
+206 40.81454981581055 1.6443011639371379 0 0 0 0
+219 10.462944785741406 -1.1053560374387674 0 0 0 0
+210 11.102249839257244 -13.209012032196064 0 0 0 0
+234 18.503381094490322 -25.53658809338312 0 0 0 0
+216 -0.1762321264986873 -8.98672866197053 0 0 0 0
+220 14.308545101950667 -37.91893075012361 0 0 0 0
+227 15.953826609540407 42.55933930591708 0 0 0 0
+231 -50.941899420367065 18.723801699687733 0 0 0 0
+3 -57.96356645474765 63.47436887183657 0 0 0 0
+212 -4.48930772158848 -20.315504489166887 0 0 0 0
+222 34.56094830414907 -28.839700293646942 0 0 0 0
+213 22.614776199583044 -13.61587622599671 0 0 0 0
+217 15.536579575932311 -6.067057609790037 0 0 0 0
+221 -8.112765261084197 -38.50003755513721 0 0 0 0
+224 22.231407191087374 -42.945397259825896 0 0 0 0
+226 -1.536398222515044 17.1186720157203 0 0 0 0
+236 -9.981412626646536 -0.8306343244431027 0 0 0 0
+6 11.7622571034779 -11.408645488374354 0 0 0 0
+230 -4.270160071594744 -4.0954689715941885 0 0 0 0
+5 10.343241900916803 8.552967388073379 0 0 0 0
+13 -5.062392744541854 -20.627478316087142 0 0 0 0
+2 -38.4288713628745 8.202495043292545 0 0 0 0
+232 -37.22920657398809 19.758864550252543 0 0 0 0
+218 33.29651246373312 14.488260550574456 0 0 0 0
+223 25.0510845262768 -3.7456688588330156 0 0 0 0
+225 5.337809761904543 8.326487465995404 0 0 0 0
+233 -13.765991233155292 0.3430152424921851 0 0 0 0
diff --git a/DATASET/P=160000Pa/confined.restart b/DATASET/P=160000Pa/confined.restart
new file mode 100644
index 0000000..1aca8c3
Binary files /dev/null and b/DATASET/P=160000Pa/confined.restart differ
diff --git a/DATASET/P=160000Pa/log.lammps b/DATASET/P=160000Pa/log.lammps
new file mode 100644
index 0000000..b1a9c45
--- /dev/null
+++ b/DATASET/P=160000Pa/log.lammps
@@ -0,0 +1,148 @@
+LAMMPS (29 Sep 2021 - Update 3)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
+ using 1 OpenMP thread(s) per MPI task
+read_restart confined.restart
+Reading restart file ...
+ restart file = 29 Sep 2021, LAMMPS = 29 Sep 2021
+ restoring atom style sphere from restart
+ orthogonal box = (0.027597194 0.027597194 -0.00050000000) to (0.072402806 0.072402806 0.00050000000)
+ 1 by 1 by 1 MPI processor grid
+ restoring pair style gran/hertz/history from restart
+ 240 atoms
+ read_restart CPU = 0.001 seconds
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable nb_step equal 223186
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+variable print_freq equal 223
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+Changing box ...
+ triclinic box = (0.027597194 0.027597194 -0.00050000000) to (0.072402806 0.072402806 0.00050000000) with tilt (0.0000000 0.0000000 0.0000000)
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+timestep 0.01
+
+fix 2 all deform 1 xy erate ${rate}
+fix 2 all deform 1 xy erate 4.48056119110141e-05
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+fix output_file all print 223 "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+run 223186
+Resetting global fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+Resetting peratom fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+All restart file global fix info was re-assigned
+All restart file peratom fix info was re-assigned
+Neighbor list info ...
+ update every 1 steps, delay 10 steps, check yes
+ max neighbors/atom: 2000, page size: 100000
+ master list distance cutoff = 0.0045
+ ghost atom cutoff = 0.0045
+ binsize = 0.00225, bins = 20 20 1
+ 1 neighbor lists, perpetual/occasional/extra = 1 0 0
+ (1) pair gran/hertz/history, perpetual
+ attributes: half, newton on, size, history
+ pair build: half/size/bin/newton/tri
+ stencil: half/bin/2d/tri
+ bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.981 | 9.981 | 9.981 Mbytes
+Step Atoms Lx Xy Pxy v_eps v_nb_step
+ 2000000 240 0.044805612 0 -1044.5205 0 223186
+ 2005000 240 0.044805612 0.00010037714 -7314.6241 0.0022402806 223186
+ 2010000 240 0.044805612 0.00020075429 -13565.555 0.0044805612 223186
+ 2015000 240 0.044805612 0.00030113143 -19805.42 0.0067208418 223186
+ 2020000 240 0.044805612 0.00040150857 -26039.504 0.0089611224 223186
+ 2025000 240 0.044805612 0.00050188571 -32254.169 0.011201403 223186
+ 2030000 240 0.044805612 0.00060226286 -38434.333 0.013441684 223186
+ 2035000 240 0.044805612 0.00070264 -44575.077 0.015681964 223186
+ 2040000 240 0.044805612 0.00080301714 -50673.092 0.017922245 223186
+ 2045000 240 0.044805612 0.00090339429 -56735.534 0.020162525 223186
+ 2050000 240 0.044805612 0.0010037714 -62765.436 0.022402806 223186
+ 2055000 240 0.044805612 0.0011041486 -68765.232 0.024643087 223186
+ 2060000 240 0.044805612 0.0012045257 -74751.427 0.026883367 223186
+ 2065000 240 0.044805612 0.0013049029 -80716.288 0.029123648 223186
+ 2070000 240 0.044805612 0.00140528 -86654.254 0.031363928 223186
+ 2075000 240 0.044805612 0.0015056571 -92560.983 0.033604209 223186
+ 2080000 240 0.044805612 0.0016060343 -98436.898 0.03584449 223186
+ 2085000 240 0.044805612 0.0017064114 -104271.57 0.03808477 223186
+ 2090000 240 0.044805612 0.0018067886 -110073.92 0.040325051 223186
+ 2095000 240 0.044805612 0.0019071657 -115849.62 0.042565331 223186
+ 2100000 240 0.044805612 0.0020075429 -121582.79 0.044805612 223186
+ 2105000 240 0.044805612 0.00210792 -127288.8 0.047045893 223186
+ 2110000 240 0.044805612 0.0022082971 -132961.24 0.049286173 223186
+ 2115000 240 0.044805612 0.0023086743 -138605.54 0.051526454 223186
+ 2120000 240 0.044805612 0.0024090514 -144224.85 0.053766734 223186
+ 2125000 240 0.044805612 0.0025094286 -149830.23 0.056007015 223186
+ 2130000 240 0.044805612 0.0026098057 -155426.41 0.058247295 223186
+ 2135000 240 0.044805612 0.0027101829 -161023.39 0.060487576 223186
+ 2140000 240 0.044805612 0.00281056 -166627.76 0.062727857 223186
+ 2145000 240 0.044805612 0.0029109371 -172234.24 0.064968137 223186
+ 2150000 240 0.044805612 0.0030113143 -177838.38 0.067208418 223186
+ 2155000 240 0.044805612 0.0031116914 -183451.04 0.069448698 223186
+ 2160000 240 0.044805612 0.0032120686 -189072.66 0.071688979 223186
+ 2165000 240 0.044805612 0.0033124457 -194695.79 0.07392926 223186
+ 2170000 240 0.044805612 0.0034128229 -200327.94 0.07616954 223186
+ 2175000 240 0.044805612 0.0035132 -205968.78 0.078409821 223186
+ 2180000 240 0.044805612 0.0036135771 -211624.05 0.080650101 223186
+ 2185000 240 0.044805612 0.0037139543 -217300.52 0.082890382 223186
+ 2190000 240 0.044805612 0.0038143314 -222994.34 0.085130663 223186
+ 2195000 240 0.044805612 0.0039147086 -228704.72 0.087370943 223186
+ 2200000 240 0.044805612 0.0040150857 -234433.2 0.089611224 223186
+ 2205000 240 0.044805612 0.0041154629 -240180.2 0.091851504 223186
+ 2210000 240 0.044805612 0.00421584 -245946.5 0.094091785 223186
+ 2215000 240 0.044805612 0.0043162171 -251735.15 0.096332066 223186
+ 2220000 240 0.044805612 0.0044165943 -257540.48 0.098572346 223186
+ 2223186 240 0.044805612 0.0044805546 -261246.76 0.099999853 223186
+Loop time of 5.86394 on 1 procs for 223186 steps with 240 atoms
+
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 4.5231 | 4.5231 | 4.5231 | 0.0 | 77.13
+Neigh | 0.00074935 | 0.00074935 | 0.00074935 | 0.0 | 0.01
+Comm | 0.51254 | 0.51254 | 0.51254 | 0.0 | 8.74
+Output | 0.0077977 | 0.0077977 | 0.0077977 | 0.0 | 0.13
+Modify | 0.60426 | 0.60426 | 0.60426 | 0.0 | 10.30
+Other | | 0.2155 | | | 3.68
+
+Nlocal: 240.000 ave 240 max 240 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost: 103.000 ave 103 max 103 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs: 690.000 ave 690 max 690 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 690
+Ave neighs/atom = 2.8750000
+Neighbor list builds = 17
+Dangerous builds = 0
+
+write_data box_sheared.data
+System init for write_data ...
+
+Total wall time: 0:00:05
diff --git a/DATASET/P=170000Pa/1_generate_conf_170000Pa.in b/DATASET/P=170000Pa/1_generate_conf_170000Pa.in
new file mode 100644
index 0000000..cf1c863
--- /dev/null
+++ b/DATASET/P=170000Pa/1_generate_conf_170000Pa.in
@@ -0,0 +1,265 @@
+atom_style sphere
+atom_modify map array
+dimension 2
+boundary p p p
+newton off
+comm_modify vel yes
+units si
+
+region reg block 0.0 0.1 0 0.1 -0.0005 0.0005 units box
+variable confinement_pressure equal 170000
+
+# How many grain/atom types
+create_box 6 reg
+
+# Size of bins for more efficiently searching for grain contacts.
+neighbor 0.001 bin
+
+# Reconstruct the neighbor list without any delay, every time-step
+neigh_modify delay 0
+
+# Glass marbles, tangential force
+pair_style gran/hertz/history 36630036630.0 0.0 0.2 NULL 0.0 0
+
+pair_coeff * *
+
+timestep 1e-8
+
+fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
+
+# Particle insertion in regions
+
+region region_gouge_1 block 0.00 0.1 0.0000 0.0025 -0.0005 0.0005 units box
+region region_gouge_2 block 0.00 0.1 0.0025 0.0050 -0.0005 0.0005 units box
+region region_gouge_3 block 0.00 0.1 0.0050 0.0075 -0.0005 0.0005 units box
+region region_gouge_4 block 0.00 0.1 0.0075 0.0100 -0.0005 0.0005 units box
+region region_gouge_5 block 0.00 0.1 0.0100 0.0125 -0.0005 0.0005 units box
+region region_gouge_6 block 0.00 0.1 0.0125 0.0150 -0.0005 0.0005 units box
+region region_gouge_7 block 0.00 0.1 0.0150 0.0175 -0.0005 0.0005 units box
+region region_gouge_8 block 0.00 0.1 0.0175 0.0200 -0.0005 0.0005 units box
+region region_gouge_9 block 0.00 0.1 0.0200 0.0225 -0.0005 0.0005 units box
+region region_gouge_10 block 0.00 0.1 0.0225 0.0250 -0.0005 0.0005 units box
+region region_gouge_11 block 0.00 0.1 0.0250 0.0275 -0.0005 0.0005 units box
+region region_gouge_12 block 0.00 0.1 0.0275 0.0300 -0.0005 0.0005 units box
+region region_gouge_13 block 0.00 0.1 0.0300 0.0325 -0.0005 0.0005 units box
+region region_gouge_14 block 0.00 0.1 0.0325 0.0350 -0.0005 0.0005 units box
+region region_gouge_15 block 0.00 0.1 0.0350 0.0375 -0.0005 0.0005 units box
+region region_gouge_16 block 0.00 0.1 0.0375 0.0400 -0.0005 0.0005 units box
+region region_gouge_17 block 0.00 0.1 0.0400 0.0425 -0.0005 0.0005 units box
+region region_gouge_18 block 0.00 0.1 0.0425 0.0450 -0.0005 0.0005 units box
+region region_gouge_19 block 0.00 0.1 0.0450 0.0475 -0.0005 0.0005 units box
+region region_gouge_20 block 0.00 0.1 0.0475 0.0500 -0.0005 0.0005 units box
+region region_gouge_21 block 0.00 0.1 0.0500 0.0525 -0.0005 0.0005 units box
+region region_gouge_22 block 0.00 0.1 0.0525 0.0550 -0.0005 0.0005 units box
+region region_gouge_23 block 0.00 0.1 0.0550 0.0575 -0.0005 0.0005 units box
+region region_gouge_24 block 0.00 0.1 0.0575 0.0600 -0.0005 0.0005 units box
+region region_gouge_25 block 0.00 0.1 0.0600 0.0625 -0.0005 0.0005 units box
+region region_gouge_26 block 0.00 0.1 0.0625 0.0650 -0.0005 0.0005 units box
+region region_gouge_27 block 0.00 0.1 0.0650 0.0675 -0.0005 0.0005 units box
+region region_gouge_28 block 0.00 0.1 0.0675 0.0700 -0.0005 0.0005 units box
+region region_gouge_29 block 0.00 0.1 0.0700 0.0725 -0.0005 0.0005 units box
+region region_gouge_30 block 0.00 0.1 0.0725 0.0750 -0.0005 0.0005 units box
+region region_gouge_31 block 0.00 0.1 0.0750 0.0775 -0.0005 0.0005 units box
+region region_gouge_32 block 0.00 0.1 0.0775 0.0800 -0.0005 0.0005 units box
+region region_gouge_33 block 0.00 0.1 0.0800 0.0825 -0.0005 0.0005 units box
+region region_gouge_34 block 0.00 0.1 0.0825 0.0850 -0.0005 0.0005 units box
+region region_gouge_35 block 0.00 0.1 0.0850 0.0875 -0.0005 0.0005 units box
+region region_gouge_36 block 0.00 0.1 0.0875 0.0900 -0.0005 0.0005 units box
+region region_gouge_37 block 0.00 0.1 0.0900 0.0925 -0.0005 0.0005 units box
+region region_gouge_38 block 0.00 0.1 0.0925 0.0950 -0.0005 0.0005 units box
+region region_gouge_39 block 0.00 0.1 0.0950 0.0975 -0.0005 0.0005 units box
+region region_gouge_40 block 0.00 0.1 0.0975 0.1000 -0.0005 0.0005 units box
+
+group nve_group region region_gouge_1
+group nve_group region region_gouge_2
+group nve_group region region_gouge_3
+group nve_group region region_gouge_4
+group nve_group region region_gouge_5
+group nve_group region region_gouge_6
+group nve_group region region_gouge_7
+group nve_group region region_gouge_8
+group nve_group region region_gouge_9
+group nve_group region region_gouge_10
+group nve_group region region_gouge_11
+group nve_group region region_gouge_12
+group nve_group region region_gouge_13
+group nve_group region region_gouge_14
+group nve_group region region_gouge_15
+group nve_group region region_gouge_16
+group nve_group region region_gouge_17
+group nve_group region region_gouge_18
+group nve_group region region_gouge_19
+group nve_group region region_gouge_20
+group nve_group region region_gouge_21
+group nve_group region region_gouge_22
+group nve_group region region_gouge_23
+group nve_group region region_gouge_24
+group nve_group region region_gouge_25
+group nve_group region region_gouge_26
+group nve_group region region_gouge_27
+group nve_group region region_gouge_28
+group nve_group region region_gouge_29
+group nve_group region region_gouge_30
+group nve_group region region_gouge_31
+group nve_group region region_gouge_32
+group nve_group region region_gouge_33
+group nve_group region region_gouge_34
+group nve_group region region_gouge_35
+group nve_group region region_gouge_36
+group nve_group region region_gouge_37
+group nve_group region region_gouge_38
+group nve_group region region_gouge_39
+group nve_group region region_gouge_40
+
+fix ins_1 nve_group pour 50000 1 154 region region_gouge_1 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_2 nve_group pour 50000 1 656 region region_gouge_2 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_3 nve_group pour 50000 1 435 region region_gouge_3 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_4 nve_group pour 50000 1 997 region region_gouge_4 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_5 nve_group pour 50000 1 86 region region_gouge_5 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_6 nve_group pour 50000 1 697 region region_gouge_6 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_7 nve_group pour 50000 1 285 region region_gouge_7 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_8 nve_group pour 50000 1 974 region region_gouge_8 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_9 nve_group pour 50000 1 220 region region_gouge_9 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_10 nve_group pour 50000 1 69 region region_gouge_10 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_11 nve_group pour 50000 1 47 region region_gouge_11 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_12 nve_group pour 50000 1 94 region region_gouge_12 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_13 nve_group pour 50000 1 750 region region_gouge_13 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_14 nve_group pour 50000 1 958 region region_gouge_14 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_15 nve_group pour 50000 1 453 region region_gouge_15 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_16 nve_group pour 50000 1 204 region region_gouge_16 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_17 nve_group pour 50000 1 912 region region_gouge_17 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_18 nve_group pour 50000 1 218 region region_gouge_18 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_19 nve_group pour 50000 1 474 region region_gouge_19 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_20 nve_group pour 50000 1 432 region region_gouge_20 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_21 nve_group pour 50000 1 341 region region_gouge_21 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_22 nve_group pour 50000 1 551 region region_gouge_22 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_23 nve_group pour 50000 1 612 region region_gouge_23 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_24 nve_group pour 50000 1 289 region region_gouge_24 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_25 nve_group pour 50000 1 254 region region_gouge_25 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_26 nve_group pour 50000 1 734 region region_gouge_26 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_27 nve_group pour 50000 1 357 region region_gouge_27 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_28 nve_group pour 50000 1 23 region region_gouge_28 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_29 nve_group pour 50000 1 762 region region_gouge_29 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_30 nve_group pour 50000 1 522 region region_gouge_30 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_31 nve_group pour 50000 1 758 region region_gouge_31 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_32 nve_group pour 50000 1 837 region region_gouge_32 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_33 nve_group pour 50000 1 100 region region_gouge_33 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_34 nve_group pour 50000 1 802 region region_gouge_34 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_35 nve_group pour 50000 1 180 region region_gouge_35 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_36 nve_group pour 50000 1 223 region region_gouge_36 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_37 nve_group pour 50000 1 906 region region_gouge_37 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_38 nve_group pour 50000 1 762 region region_gouge_38 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_39 nve_group pour 50000 1 659 region region_gouge_39 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_40 nve_group pour 50000 1 442 region region_gouge_40 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+
+run 1
+
+set group nve_group density/disc 2.5
+fix integr nve_group nve/sphere disc
+fix makeit2d all enforce2d
+
+thermo 1
+thermo_modify lost ignore norm no
+
+# Unfix particle insertion
+
+unfix ins_1
+unfix ins_2
+unfix ins_3
+unfix ins_4
+unfix ins_5
+unfix ins_6
+unfix ins_7
+unfix ins_8
+unfix ins_9
+unfix ins_10
+unfix ins_11
+unfix ins_12
+unfix ins_13
+unfix ins_14
+unfix ins_15
+unfix ins_16
+unfix ins_17
+unfix ins_18
+unfix ins_19
+unfix ins_20
+unfix ins_21
+unfix ins_22
+unfix ins_23
+unfix ins_24
+unfix ins_25
+unfix ins_26
+unfix ins_27
+unfix ins_28
+unfix ins_29
+unfix ins_30
+unfix ins_31
+unfix ins_32
+unfix ins_33
+unfix ins_34
+unfix ins_35
+unfix ins_36
+unfix ins_37
+unfix ins_38
+unfix ins_39
+unfix ins_40
+
+run 100 upto
+
+# Set gouge layer grain density
+set group all density/disc 2.5
+
+# Apply NVE integration to all particles
+fix integr all nve/sphere disc
+
+# Output settings
+compute 1 all erotate/sphere
+compute 2 all contact/atom
+compute 3 all ke
+
+variable Sxx equal pxx
+variable Syy equal pyy
+variable TotalPressure equal (v_Sxx+v_Syy)/2.0
+
+thermo_style custom step atoms ke pxx pyy v_TotalPressure ly
+thermo 50000
+thermo_modify lost ignore norm no
+
+set group all density/disc 2.5
+
+# Stop the confining pressure once the pressure is superior to the desired pressure
+fix condition all halt 1 v_Syy > ${confinement_pressure} error continue
+fix def all deform 1 x erate -50 y erate -50 z erate 0
+
+run 1500000
+unfix def
+unfix condition
+
+run 10000
+
+# Check if the pressure does not decrease
+label loopa
+variable a loop 1000
+ label loopb
+ variable P equal pyy
+ variable b loop 1000
+ if "${P} > ${confinement_pressure}" then "jump SELF break"
+ fix def all deform 1 x erate -10 y erate -10 z erate 0
+ run 1000
+ unfix def
+ run 10000
+ next b
+ jump SELF loopb
+ label break
+ variable b delete
+if "${P} > ${confinement_pressure}" then "jump SELF break2"
+next a
+jump SELF loopa
+label break2
+print "Over"
+
+restart 1000000 confined.restart confined2.restart
+
+run 1000000
+
+write_data box_confined.data
\ No newline at end of file
diff --git a/DATASET/P=170000Pa/2_shear.in b/DATASET/P=170000Pa/2_shear.in
new file mode 100644
index 0000000..1547629
--- /dev/null
+++ b/DATASET/P=170000Pa/2_shear.in
@@ -0,0 +1,36 @@
+read_restart confined.restart
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+
+fix 2 all deform 1 xy erate ${rate}
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+
+write_data box_sheared.data
+
diff --git a/DATASET/P=170000Pa/StrainStress.txt b/DATASET/P=170000Pa/StrainStress.txt
new file mode 100644
index 0000000..2de5e6e
--- /dev/null
+++ b/DATASET/P=170000Pa/StrainStress.txt
@@ -0,0 +1,1000 @@
+# Fix print output for fix output_file
+4.27847006020741e-05 5251.7216028880247904
+0.000142909721598601 4969.4909785184318025
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diff --git a/DATASET/P=170000Pa/box_confined.data b/DATASET/P=170000Pa/box_confined.data
new file mode 100644
index 0000000..a6e6f30
--- /dev/null
+++ b/DATASET/P=170000Pa/box_confined.data
@@ -0,0 +1,494 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2138853
+
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diff --git a/DATASET/P=170000Pa/box_sheared.data b/DATASET/P=170000Pa/box_sheared.data
new file mode 100644
index 0000000..8179667
--- /dev/null
+++ b/DATASET/P=170000Pa/box_sheared.data
@@ -0,0 +1,495 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2226717
+
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+
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diff --git a/DATASET/P=170000Pa/confined.restart b/DATASET/P=170000Pa/confined.restart
new file mode 100644
index 0000000..7e3c71f
Binary files /dev/null and b/DATASET/P=170000Pa/confined.restart differ
diff --git a/DATASET/P=170000Pa/log.lammps b/DATASET/P=170000Pa/log.lammps
new file mode 100644
index 0000000..10be8e6
--- /dev/null
+++ b/DATASET/P=170000Pa/log.lammps
@@ -0,0 +1,149 @@
+LAMMPS (29 Sep 2021 - Update 3)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
+ using 1 OpenMP thread(s) per MPI task
+read_restart confined.restart
+Reading restart file ...
+ restart file = 29 Sep 2021, LAMMPS = 29 Sep 2021
+ restoring atom style sphere from restart
+ orthogonal box = (0.027946031 0.027946031 -0.00050000000) to (0.072053969 0.072053969 0.00050000000)
+ 1 by 1 by 1 MPI processor grid
+ restoring pair style gran/hertz/history from restart
+ 240 atoms
+ read_restart CPU = 0.001 seconds
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable nb_step equal 226717
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+variable print_freq equal 227
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+Changing box ...
+ triclinic box = (0.027946031 0.027946031 -0.00050000000) to (0.072053969 0.072053969 0.00050000000) with tilt (0.0000000 0.0000000 0.0000000)
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+timestep 0.01
+
+fix 2 all deform 1 xy erate ${rate}
+fix 2 all deform 1 xy erate 4.4107938765e-05
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+fix output_file all print 227 "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+run 226717
+Resetting global fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+Resetting peratom fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+All restart file global fix info was re-assigned
+All restart file peratom fix info was re-assigned
+Neighbor list info ...
+ update every 1 steps, delay 10 steps, check yes
+ max neighbors/atom: 2000, page size: 100000
+ master list distance cutoff = 0.0045
+ ghost atom cutoff = 0.0045
+ binsize = 0.00225, bins = 20 20 1
+ 1 neighbor lists, perpetual/occasional/extra = 1 0 0
+ (1) pair gran/hertz/history, perpetual
+ attributes: half, newton on, size, history
+ pair build: half/size/bin/newton/tri
+ stencil: half/bin/2d/tri
+ bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.981 | 9.981 | 9.981 Mbytes
+Step Atoms Lx Xy Pxy v_eps v_nb_step
+ 2000000 240 0.044107939 0 5371.0747 0 226717
+ 2005000 240 0.044107939 9.7275513e-05 -847.24507 0.0022053969 226717
+ 2010000 240 0.044107939 0.00019455103 -7079.9512 0.0044107939 226717
+ 2015000 240 0.044107939 0.00029182654 -13317.392 0.0066161908 226717
+ 2020000 240 0.044107939 0.00038910205 -19547.48 0.0088215878 226717
+ 2025000 240 0.044107939 0.00048637757 -25767.215 0.011026985 226717
+ 2030000 240 0.044107939 0.00058365308 -31965.422 0.013232382 226717
+ 2035000 240 0.044107939 0.00068092859 -38132.159 0.015437779 226717
+ 2040000 240 0.044107939 0.0007782041 -44264.568 0.017643176 226717
+ 2045000 240 0.044107939 0.00087547962 -50365.343 0.019848572 226717
+ 2050000 240 0.044107939 0.00097275513 -56434.29 0.022053969 226717
+ 2055000 240 0.044107939 0.0010700306 -62468.134 0.024259366 226717
+ 2060000 240 0.044107939 0.0011673062 -68467.31 0.026464763 226717
+ 2065000 240 0.044107939 0.0012645817 -74426.158 0.02867016 226717
+ 2070000 240 0.044107939 0.0013618572 -80342.825 0.030875557 226717
+ 2075000 240 0.044107939 0.0014591327 -86213.736 0.033080954 226717
+ 2080000 240 0.044107939 0.0015564082 -92048.861 0.035286351 226717
+ 2085000 240 0.044107939 0.0016536837 -97842.913 0.037491748 226717
+ 2090000 240 0.044107939 0.0017509592 -103593.15 0.039697145 226717
+ 2095000 240 0.044107939 0.0018482347 -109305.69 0.041902542 226717
+ 2100000 240 0.044107939 0.0019455103 -114991.03 0.044107939 226717
+ 2105000 240 0.044107939 0.0020427858 -120655.34 0.046313336 226717
+ 2110000 240 0.044107939 0.0021400613 -126315.87 0.048518733 226717
+ 2115000 240 0.044107939 0.0022373368 -131975.75 0.05072413 226717
+ 2120000 240 0.044107939 0.0023346123 -137629.25 0.052929527 226717
+ 2125000 240 0.044107939 0.0024318878 -143283.03 0.055134923 226717
+ 2130000 240 0.044107939 0.0025291633 -148932.69 0.05734032 226717
+ 2135000 240 0.044107939 0.0026264389 -154563.9 0.059545717 226717
+ 2140000 240 0.044107939 0.0027237144 -160165.74 0.061751114 226717
+ 2145000 240 0.044107939 0.0028209899 -165747.96 0.063956511 226717
+ 2150000 240 0.044107939 0.0029182654 -171321.05 0.066161908 226717
+ 2155000 240 0.044107939 0.0030155409 -176879.24 0.068367305 226717
+ 2160000 240 0.044107939 0.0031128164 -182426.36 0.070572702 226717
+ 2165000 240 0.044107939 0.0032100919 -187962.96 0.072778099 226717
+ 2170000 240 0.044107939 0.0033073674 -193495.58 0.074983496 226717
+ 2175000 240 0.044107939 0.003404643 -199030.28 0.077188893 226717
+ 2180000 240 0.044107939 0.0035019185 -204574.29 0.07939429 226717
+ 2185000 240 0.044107939 0.003599194 -210127.11 0.081599687 226717
+ 2190000 240 0.044107939 0.0036964695 -215689.39 0.083805084 226717
+ 2195000 240 0.044107939 0.003793745 -221265.39 0.086010481 226717
+ 2200000 240 0.044107939 0.0038910205 -226857.26 0.088215878 226717
+ 2205000 240 0.044107939 0.003988296 -232462.11 0.090421274 226717
+ 2210000 240 0.044107939 0.0040855716 -238078.16 0.092626671 226717
+ 2215000 240 0.044107939 0.0041828471 -243699.03 0.094832068 226717
+ 2220000 240 0.044107939 0.0042801226 -249329.18 0.097037465 226717
+ 2225000 240 0.044107939 0.0043773981 -254973.8 0.099242862 226717
+ 2226717 240 0.044107939 0.0044108025 -256915.5 0.1000002 226717
+Loop time of 5.83869 on 1 procs for 226717 steps with 240 atoms
+
+99.0% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 4.5015 | 4.5015 | 4.5015 | 0.0 | 77.10
+Neigh | 0.00076222 | 0.00076222 | 0.00076222 | 0.0 | 0.01
+Comm | 0.51314 | 0.51314 | 0.51314 | 0.0 | 8.79
+Output | 0.0072296 | 0.0072296 | 0.0072296 | 0.0 | 0.12
+Modify | 0.59696 | 0.59696 | 0.59696 | 0.0 | 10.22
+Other | | 0.2191 | | | 3.75
+
+Nlocal: 240.000 ave 240 max 240 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost: 106.000 ave 106 max 106 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs: 704.000 ave 704 max 704 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 704
+Ave neighs/atom = 2.9333333
+Neighbor list builds = 17
+Dangerous builds = 0
+
+write_data box_sheared.data
+System init for write_data ...
+
+Total wall time: 0:00:05
diff --git a/DATASET/P=180000Pa/1_generate_conf_180000Pa.in b/DATASET/P=180000Pa/1_generate_conf_180000Pa.in
new file mode 100644
index 0000000..d4d76eb
--- /dev/null
+++ b/DATASET/P=180000Pa/1_generate_conf_180000Pa.in
@@ -0,0 +1,265 @@
+atom_style sphere
+atom_modify map array
+dimension 2
+boundary p p p
+newton off
+comm_modify vel yes
+units si
+
+region reg block 0.0 0.1 0 0.1 -0.0005 0.0005 units box
+variable confinement_pressure equal 180000
+
+# How many grain/atom types
+create_box 6 reg
+
+# Size of bins for more efficiently searching for grain contacts.
+neighbor 0.001 bin
+
+# Reconstruct the neighbor list without any delay, every time-step
+neigh_modify delay 0
+
+# Glass marbles, tangential force
+pair_style gran/hertz/history 36630036630.0 0.0 0.2 NULL 0.0 0
+
+pair_coeff * *
+
+timestep 1e-8
+
+fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
+
+# Particle insertion in regions
+
+region region_gouge_1 block 0.00 0.1 0.0000 0.0025 -0.0005 0.0005 units box
+region region_gouge_2 block 0.00 0.1 0.0025 0.0050 -0.0005 0.0005 units box
+region region_gouge_3 block 0.00 0.1 0.0050 0.0075 -0.0005 0.0005 units box
+region region_gouge_4 block 0.00 0.1 0.0075 0.0100 -0.0005 0.0005 units box
+region region_gouge_5 block 0.00 0.1 0.0100 0.0125 -0.0005 0.0005 units box
+region region_gouge_6 block 0.00 0.1 0.0125 0.0150 -0.0005 0.0005 units box
+region region_gouge_7 block 0.00 0.1 0.0150 0.0175 -0.0005 0.0005 units box
+region region_gouge_8 block 0.00 0.1 0.0175 0.0200 -0.0005 0.0005 units box
+region region_gouge_9 block 0.00 0.1 0.0200 0.0225 -0.0005 0.0005 units box
+region region_gouge_10 block 0.00 0.1 0.0225 0.0250 -0.0005 0.0005 units box
+region region_gouge_11 block 0.00 0.1 0.0250 0.0275 -0.0005 0.0005 units box
+region region_gouge_12 block 0.00 0.1 0.0275 0.0300 -0.0005 0.0005 units box
+region region_gouge_13 block 0.00 0.1 0.0300 0.0325 -0.0005 0.0005 units box
+region region_gouge_14 block 0.00 0.1 0.0325 0.0350 -0.0005 0.0005 units box
+region region_gouge_15 block 0.00 0.1 0.0350 0.0375 -0.0005 0.0005 units box
+region region_gouge_16 block 0.00 0.1 0.0375 0.0400 -0.0005 0.0005 units box
+region region_gouge_17 block 0.00 0.1 0.0400 0.0425 -0.0005 0.0005 units box
+region region_gouge_18 block 0.00 0.1 0.0425 0.0450 -0.0005 0.0005 units box
+region region_gouge_19 block 0.00 0.1 0.0450 0.0475 -0.0005 0.0005 units box
+region region_gouge_20 block 0.00 0.1 0.0475 0.0500 -0.0005 0.0005 units box
+region region_gouge_21 block 0.00 0.1 0.0500 0.0525 -0.0005 0.0005 units box
+region region_gouge_22 block 0.00 0.1 0.0525 0.0550 -0.0005 0.0005 units box
+region region_gouge_23 block 0.00 0.1 0.0550 0.0575 -0.0005 0.0005 units box
+region region_gouge_24 block 0.00 0.1 0.0575 0.0600 -0.0005 0.0005 units box
+region region_gouge_25 block 0.00 0.1 0.0600 0.0625 -0.0005 0.0005 units box
+region region_gouge_26 block 0.00 0.1 0.0625 0.0650 -0.0005 0.0005 units box
+region region_gouge_27 block 0.00 0.1 0.0650 0.0675 -0.0005 0.0005 units box
+region region_gouge_28 block 0.00 0.1 0.0675 0.0700 -0.0005 0.0005 units box
+region region_gouge_29 block 0.00 0.1 0.0700 0.0725 -0.0005 0.0005 units box
+region region_gouge_30 block 0.00 0.1 0.0725 0.0750 -0.0005 0.0005 units box
+region region_gouge_31 block 0.00 0.1 0.0750 0.0775 -0.0005 0.0005 units box
+region region_gouge_32 block 0.00 0.1 0.0775 0.0800 -0.0005 0.0005 units box
+region region_gouge_33 block 0.00 0.1 0.0800 0.0825 -0.0005 0.0005 units box
+region region_gouge_34 block 0.00 0.1 0.0825 0.0850 -0.0005 0.0005 units box
+region region_gouge_35 block 0.00 0.1 0.0850 0.0875 -0.0005 0.0005 units box
+region region_gouge_36 block 0.00 0.1 0.0875 0.0900 -0.0005 0.0005 units box
+region region_gouge_37 block 0.00 0.1 0.0900 0.0925 -0.0005 0.0005 units box
+region region_gouge_38 block 0.00 0.1 0.0925 0.0950 -0.0005 0.0005 units box
+region region_gouge_39 block 0.00 0.1 0.0950 0.0975 -0.0005 0.0005 units box
+region region_gouge_40 block 0.00 0.1 0.0975 0.1000 -0.0005 0.0005 units box
+
+group nve_group region region_gouge_1
+group nve_group region region_gouge_2
+group nve_group region region_gouge_3
+group nve_group region region_gouge_4
+group nve_group region region_gouge_5
+group nve_group region region_gouge_6
+group nve_group region region_gouge_7
+group nve_group region region_gouge_8
+group nve_group region region_gouge_9
+group nve_group region region_gouge_10
+group nve_group region region_gouge_11
+group nve_group region region_gouge_12
+group nve_group region region_gouge_13
+group nve_group region region_gouge_14
+group nve_group region region_gouge_15
+group nve_group region region_gouge_16
+group nve_group region region_gouge_17
+group nve_group region region_gouge_18
+group nve_group region region_gouge_19
+group nve_group region region_gouge_20
+group nve_group region region_gouge_21
+group nve_group region region_gouge_22
+group nve_group region region_gouge_23
+group nve_group region region_gouge_24
+group nve_group region region_gouge_25
+group nve_group region region_gouge_26
+group nve_group region region_gouge_27
+group nve_group region region_gouge_28
+group nve_group region region_gouge_29
+group nve_group region region_gouge_30
+group nve_group region region_gouge_31
+group nve_group region region_gouge_32
+group nve_group region region_gouge_33
+group nve_group region region_gouge_34
+group nve_group region region_gouge_35
+group nve_group region region_gouge_36
+group nve_group region region_gouge_37
+group nve_group region region_gouge_38
+group nve_group region region_gouge_39
+group nve_group region region_gouge_40
+
+fix ins_1 nve_group pour 50000 1 608 region region_gouge_1 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_2 nve_group pour 50000 1 769 region region_gouge_2 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_3 nve_group pour 50000 1 325 region region_gouge_3 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_4 nve_group pour 50000 1 516 region region_gouge_4 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_5 nve_group pour 50000 1 16 region region_gouge_5 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_6 nve_group pour 50000 1 792 region region_gouge_6 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_7 nve_group pour 50000 1 336 region region_gouge_7 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_8 nve_group pour 50000 1 759 region region_gouge_8 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_9 nve_group pour 50000 1 258 region region_gouge_9 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_10 nve_group pour 50000 1 497 region region_gouge_10 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_11 nve_group pour 50000 1 988 region region_gouge_11 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_12 nve_group pour 50000 1 896 region region_gouge_12 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_13 nve_group pour 50000 1 160 region region_gouge_13 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_14 nve_group pour 50000 1 475 region region_gouge_14 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_15 nve_group pour 50000 1 852 region region_gouge_15 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_16 nve_group pour 50000 1 664 region region_gouge_16 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_17 nve_group pour 50000 1 908 region region_gouge_17 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_18 nve_group pour 50000 1 690 region region_gouge_18 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_19 nve_group pour 50000 1 675 region region_gouge_19 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_20 nve_group pour 50000 1 380 region region_gouge_20 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_21 nve_group pour 50000 1 545 region region_gouge_21 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_22 nve_group pour 50000 1 929 region region_gouge_22 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_23 nve_group pour 50000 1 957 region region_gouge_23 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_24 nve_group pour 50000 1 691 region region_gouge_24 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_25 nve_group pour 50000 1 427 region region_gouge_25 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_26 nve_group pour 50000 1 613 region region_gouge_26 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_27 nve_group pour 50000 1 268 region region_gouge_27 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_28 nve_group pour 50000 1 835 region region_gouge_28 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_29 nve_group pour 50000 1 577 region region_gouge_29 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_30 nve_group pour 50000 1 417 region region_gouge_30 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_31 nve_group pour 50000 1 168 region region_gouge_31 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_32 nve_group pour 50000 1 842 region region_gouge_32 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_33 nve_group pour 50000 1 43 region region_gouge_33 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_34 nve_group pour 50000 1 556 region region_gouge_34 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_35 nve_group pour 50000 1 285 region region_gouge_35 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_36 nve_group pour 50000 1 397 region region_gouge_36 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_37 nve_group pour 50000 1 12 region region_gouge_37 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_38 nve_group pour 50000 1 607 region region_gouge_38 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_39 nve_group pour 50000 1 302 region region_gouge_39 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_40 nve_group pour 50000 1 898 region region_gouge_40 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+
+run 1
+
+set group nve_group density/disc 2.5
+fix integr nve_group nve/sphere disc
+fix makeit2d all enforce2d
+
+thermo 1
+thermo_modify lost ignore norm no
+
+# Unfix particle insertion
+
+unfix ins_1
+unfix ins_2
+unfix ins_3
+unfix ins_4
+unfix ins_5
+unfix ins_6
+unfix ins_7
+unfix ins_8
+unfix ins_9
+unfix ins_10
+unfix ins_11
+unfix ins_12
+unfix ins_13
+unfix ins_14
+unfix ins_15
+unfix ins_16
+unfix ins_17
+unfix ins_18
+unfix ins_19
+unfix ins_20
+unfix ins_21
+unfix ins_22
+unfix ins_23
+unfix ins_24
+unfix ins_25
+unfix ins_26
+unfix ins_27
+unfix ins_28
+unfix ins_29
+unfix ins_30
+unfix ins_31
+unfix ins_32
+unfix ins_33
+unfix ins_34
+unfix ins_35
+unfix ins_36
+unfix ins_37
+unfix ins_38
+unfix ins_39
+unfix ins_40
+
+run 100 upto
+
+# Set gouge layer grain density
+set group all density/disc 2.5
+
+# Apply NVE integration to all particles
+fix integr all nve/sphere disc
+
+# Output settings
+compute 1 all erotate/sphere
+compute 2 all contact/atom
+compute 3 all ke
+
+variable Sxx equal pxx
+variable Syy equal pyy
+variable TotalPressure equal (v_Sxx+v_Syy)/2.0
+
+thermo_style custom step atoms ke pxx pyy v_TotalPressure ly
+thermo 50000
+thermo_modify lost ignore norm no
+
+set group all density/disc 2.5
+
+# Stop the confining pressure once the pressure is superior to the desired pressure
+fix condition all halt 1 v_Syy > ${confinement_pressure} error continue
+fix def all deform 1 x erate -50 y erate -50 z erate 0
+
+run 1500000
+unfix def
+unfix condition
+
+run 10000
+
+# Check if the pressure does not decrease
+label loopa
+variable a loop 1000
+ label loopb
+ variable P equal pyy
+ variable b loop 1000
+ if "${P} > ${confinement_pressure}" then "jump SELF break"
+ fix def all deform 1 x erate -10 y erate -10 z erate 0
+ run 1000
+ unfix def
+ run 10000
+ next b
+ jump SELF loopb
+ label break
+ variable b delete
+if "${P} > ${confinement_pressure}" then "jump SELF break2"
+next a
+jump SELF loopa
+label break2
+print "Over"
+
+restart 1000000 confined.restart confined2.restart
+
+run 1000000
+
+write_data box_confined.data
\ No newline at end of file
diff --git a/DATASET/P=180000Pa/2_shear.in b/DATASET/P=180000Pa/2_shear.in
new file mode 100644
index 0000000..1547629
--- /dev/null
+++ b/DATASET/P=180000Pa/2_shear.in
@@ -0,0 +1,36 @@
+read_restart confined.restart
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+
+fix 2 all deform 1 xy erate ${rate}
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+
+write_data box_sheared.data
+
diff --git a/DATASET/P=180000Pa/StrainStress.txt b/DATASET/P=180000Pa/StrainStress.txt
new file mode 100644
index 0000000..cb15f26
--- /dev/null
+++ b/DATASET/P=180000Pa/StrainStress.txt
@@ -0,0 +1,999 @@
+# Fix print output for fix output_file
+9.92537748680297e-05 3829.311958957438037
+0.000199374394931555 3566.9376349267690784
+0.000299495014994921 3304.5508272284191662
+0.000399615635058286 3042.152869489214936
+0.000499736255121812 2779.7451020565258659
+0.000599856875185178 2517.3288736241897823
+0.000699977495248703 2254.9055430295134101
+0.000800098115312069 1992.4764810801284511
+0.000900218735375434 1730.0430725714422806
+0.00100033935543896 1467.6067185079950832
+0.00110045997550233 1205.1688384717599547
+0.00120058059556585 942.73087327840994476
+0.00130070121562922 680.28507241732120292
+0.00140082183569258 417.79529492392504153
+0.00150094245575611 155.28286578470198265
+0.00160106307581947 -107.24361292399798629
+0.001701183695883 -369.77920930544416933
+0.00180130431594636 -632.32020837724383
+0.00190142493600973 -894.86346158255059891
+0.00200154555607326 -1157.4061184557810975
+0.00210166617613662 -1419.9462051012430948
+0.00220178679619999 -1682.5050635580603284
+0.00230190741626351 -1945.0727760866386689
+0.00240202803632688 -2207.6412156863789278
+0.0025021486563904 -2470.2054605991884273
+0.00260226927645377 -2732.7613423278830851
+0.00270238989651713 -2995.3048898835477303
+0.00280251051658066 -3257.8320450769329
+0.00290263113664403 -3520.3383949724652666
+0.00300275175670755 -3782.8186409216186803
+0.00310287237677092 -4045.2661417060207896
+0.00320299299683428 -4307.6957767938874895
+0.00330311361689781 -4570.1174444587259131
+0.00340323423696117 -4832.5037617397783833
+0.0035033548570247 -5094.8667392394909257
+0.00360347547708806 -5357.1791381183329577
+0.00370359609715143 -5619.4825875526275922
+0.00380371671721496 -5881.7784298030246646
+0.00390383733727832 -6144.0672212270819728
+0.00400395795734185 -6406.3697487116342018
+0.00410407857740521 -6668.6499990740312569
+0.00420419919746858 -6930.8991669861516129
+0.0043043198175321 -7193.1389723262218467
+0.00440444043759547 -7455.3953794601557092
+0.00450456105765883 -7717.6671741628342716
+0.00460468167772236 -7979.9516410295336755
+0.00470480229778573 -8242.2462387318464607
+0.00480492291784925 -8504.5485185451761936
+0.00490504353791262 -8766.8560595100389037
+0.00500516415797598 -9029.1664026560993079
+0.00510528477803951 -9291.4769638411708002
+0.00520540539810287 -9553.7848825006713014
+0.0053055260181664 -9816.0866667956433957
+0.00540564663822977 -10078.376800112630008
+0.00550576725829313 -10340.64431276661162
+0.00560588787835666 -10602.907211037454545
+0.00570600849842002 -10865.166905494834282
+0.00580612911848355 -11127.429720979720514
+0.00590624973854691 -11389.764190413055985
+0.00600637035861028 -11652.139424569129915
+0.0061064909786738 -11914.542152088999501
+0.00620661159873717 -12176.993023853859995
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diff --git a/DATASET/P=180000Pa/box_confined.data b/DATASET/P=180000Pa/box_confined.data
new file mode 100644
index 0000000..b618b16
--- /dev/null
+++ b/DATASET/P=180000Pa/box_confined.data
@@ -0,0 +1,494 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2339693
+
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diff --git a/DATASET/P=180000Pa/box_sheared.data b/DATASET/P=180000Pa/box_sheared.data
new file mode 100644
index 0000000..8ef04fa
--- /dev/null
+++ b/DATASET/P=180000Pa/box_sheared.data
@@ -0,0 +1,495 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2230722
+
+240 atoms
+6 atom types
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+0.028328870116141117 0.07167112988385892 ylo yhi
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+159 -6.7742609084285235 25.870618124397527 0 0 0 0
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+136 -9.527924061432907 -32.23721693151552 0 0 0 0
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+177 8.160380766046211 13.992987026111946 0 0 0 0
+168 30.860167623602585 -7.019667089046176 0 0 0 0
+173 -28.286043797489366 22.85295370002811 0 0 0 0
+172 -0.1079143364336603 -65.12225954336344 0 0 0 0
+165 -10.141894267674555 -53.73986862197208 0 0 0 0
+167 23.494989972503344 -25.680410730942175 0 0 0 0
+164 40.98397882248352 -29.904646344471427 0 0 0 0
+179 23.46438168306469 67.02226598896345 0 0 0 0
+171 21.315131277884273 -45.39557068820567 0 0 0 0
+166 -30.29918978764515 -10.313094470319326 0 0 0 0
+186 33.57969645255099 25.434666986706688 0 0 0 0
+170 -40.364784999172585 45.80835401130171 0 0 0 0
+185 -18.06883276794893 -21.217013016536804 0 0 0 0
+180 3.680910881171399 -18.125670286125676 0 0 0 0
+181 59.40757062549825 -61.82401132744338 0 0 0 0
+191 11.495539967774832 -12.998182985957866 0 0 0 0
+176 9.43863999034128 7.3513232291148665 0 0 0 0
+169 18.678723828786243 3.3396150702013077 0 0 0 0
+175 11.001738129864497 -16.559018974557027 0 0 0 0
+194 -19.887414302681492 -28.374026323510726 0 0 0 0
+198 -34.330995664183945 -24.404369277388152 0 0 0 0
+204 -10.93826516480697 2.0777925027333763 0 0 0 0
+184 45.93752687090257 -34.77322272176009 0 0 0 0
+188 9.145368800820002 -21.73814732435922 0 0 0 0
+187 -8.072437716652447 8.131099325929666 0 0 0 0
+195 -33.52005155155399 1.027601707125315 0 0 0 0
+210 29.9576778586541 -7.234889440824229 0 0 0 0
+214 28.834676777148488 -38.973606539155405 0 0 0 0
+193 -12.110240129042777 -3.7055069574807957 0 0 0 0
+183 -7.406316575856245 -3.0307333601099353 0 0 0 0
+189 89.96260865740533 -20.555676287989733 0 0 0 0
+202 -42.36597340704636 30.248459156134786 0 0 0 0
+192 -3.6957745352972005 -41.92193240025988 0 0 0 0
+178 -0.6454361839554504 -24.011042802593522 0 0 0 0
+197 -3.4373217406797445 3.1397430760771314 0 0 0 0
+203 -15.75354023814152 -7.049631534107406 0 0 0 0
+215 -7.009613193968172 -25.983573411957828 0 0 0 0
+211 8.595163820401984 -0.6710351479349499 0 0 0 0
+212 15.55088606884131 -34.21441921837731 0 0 0 0
+190 -19.13436504405211 8.534370527003746 0 0 0 0
+206 -12.477166990851545 -20.308934838841818 0 0 0 0
+200 -35.24376789543628 17.23513168948358 0 0 0 0
+225 7.973980164984292 60.266213462585895 0 0 0 0
+201 -30.97242165554353 -8.551122045625986 0 0 0 0
+209 -41.86031797138627 13.596065505436107 0 0 0 0
+199 -7.081610666586263 1.767616014673791 0 0 0 0
+224 19.83007658854661 1.9728779613497054 0 0 0 0
+220 -41.14786978370017 24.977610527787164 0 0 0 0
+229 19.58596836978247 -27.580563694905855 0 0 0 0
+223 1.3465256872423337 10.545980707570651 0 0 0 0
+208 -40.02134368357543 21.518356361641107 0 0 0 0
+205 -37.54605945540292 22.460456415909636 0 0 0 0
+231 17.335381627845635 -0.41360342494509883 0 0 0 0
+217 5.428937408878053 25.858162508311498 0 0 0 0
+235 8.367789311689902 -36.75498151717479 0 0 0 0
+207 1.5087066363712407 14.307025750709132 0 0 0 0
+219 -25.800701883538068 -3.414797400160843 0 0 0 0
+222 -14.56767200783811 21.66936998539093 0 0 0 0
+213 23.558734103586616 -22.971744019571798 0 0 0 0
+5 -12.731499065530306 28.236484268773935 0 0 0 0
+234 -13.137352121460014 12.609562766435861 0 0 0 0
+236 -50.37311764623123 19.27349172773146 0 0 0 0
+233 -15.39288258810876 -33.303742451139996 0 0 0 0
+232 -25.802580319518352 50.97593145473185 0 0 0 0
+218 1.557427653086832 -15.087362063753087 0 0 0 0
+230 22.452400151756592 -26.712437714516863 0 0 0 0
+239 -24.594273973001805 -28.357678694455387 0 0 0 0
+1 7.751293072554303 -27.48981118342194 0 0 0 0
+9 -11.96894466021634 -1.0251596119124053 0 0 0 0
+228 22.910776892577175 -11.170452259848336 0 0 0 0
+227 -21.633928068843833 3.71287393547862 0 0 0 0
+237 22.255103146534044 -9.507436872263884 0 0 0 0
diff --git a/DATASET/P=180000Pa/confined.restart b/DATASET/P=180000Pa/confined.restart
new file mode 100644
index 0000000..0abfa65
Binary files /dev/null and b/DATASET/P=180000Pa/confined.restart differ
diff --git a/DATASET/P=180000Pa/log.lammps b/DATASET/P=180000Pa/log.lammps
new file mode 100644
index 0000000..1507a27
--- /dev/null
+++ b/DATASET/P=180000Pa/log.lammps
@@ -0,0 +1,150 @@
+LAMMPS (29 Sep 2021 - Update 3)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
+ using 1 OpenMP thread(s) per MPI task
+read_restart confined.restart
+Reading restart file ...
+ restart file = 29 Sep 2021, LAMMPS = 29 Sep 2021
+ restoring atom style sphere from restart
+ orthogonal box = (0.028328870 0.028328870 -0.00050000000) to (0.071671130 0.071671130 0.00050000000)
+ 1 by 1 by 1 MPI processor grid
+ restoring pair style gran/hertz/history from restart
+ 240 atoms
+ read_restart CPU = 0.001 seconds
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable nb_step equal 230722
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+variable print_freq equal 231
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+Changing box ...
+ triclinic box = (0.028328870 0.028328870 -0.00050000000) to (0.071671130 0.071671130 0.00050000000) with tilt (0.0000000 0.0000000 0.0000000)
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+timestep 0.01
+
+fix 2 all deform 1 xy erate ${rate}
+fix 2 all deform 1 xy erate 4.33422597677178e-05
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+fix output_file all print 231 "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+run 230722
+Resetting global fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+Resetting peratom fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+All restart file global fix info was re-assigned
+All restart file peratom fix info was re-assigned
+Neighbor list info ...
+ update every 1 steps, delay 10 steps, check yes
+ max neighbors/atom: 2000, page size: 100000
+ master list distance cutoff = 0.0045
+ ghost atom cutoff = 0.0045
+ binsize = 0.00225, bins = 20 20 1
+ 1 neighbor lists, perpetual/occasional/extra = 1 0 0
+ (1) pair gran/hertz/history, perpetual
+ attributes: half, newton on, size, history
+ pair build: half/size/bin/newton/tri
+ stencil: half/bin/2d/tri
+ bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.981 | 9.981 | 9.981 Mbytes
+Step Atoms Lx Xy Pxy v_eps v_nb_step
+ 2000000 240 0.04334226 0 4088.2653 0 230722
+ 2005000 240 0.04334226 9.3927574e-05 -1591.5739 0.002167113 230722
+ 2010000 240 0.04334226 0.00018785515 -7271.4735 0.004334226 230722
+ 2015000 240 0.04334226 0.00028178272 -12949.723 0.006501339 230722
+ 2020000 240 0.04334226 0.0003757103 -18633.88 0.008668452 230722
+ 2025000 240 0.04334226 0.00046963787 -24319.245 0.010835565 230722
+ 2030000 240 0.04334226 0.00056356544 -30015.882 0.013002678 230722
+ 2035000 240 0.04334226 0.00065749302 -35723.241 0.015169791 230722
+ 2040000 240 0.04334226 0.00075142059 -41440.846 0.017336904 230722
+ 2045000 240 0.04334226 0.00084534817 -47162.737 0.019504017 230722
+ 2050000 240 0.04334226 0.00093927574 -52873.429 0.02167113 230722
+ 2055000 240 0.04334226 0.0010332033 -58571.483 0.023838243 230722
+ 2060000 240 0.04334226 0.0011271309 -64259.33 0.026005356 230722
+ 2065000 240 0.04334226 0.0012210585 -69934.745 0.028172469 230722
+ 2070000 240 0.04334226 0.001314986 -75593.771 0.030339582 230722
+ 2075000 240 0.04334226 0.0014089136 -81232.391 0.032506695 230722
+ 2080000 240 0.04334226 0.0015028412 -86859.11 0.034673808 230722
+ 2085000 240 0.04334226 0.0015967688 -92464.549 0.036840921 230722
+ 2090000 240 0.04334226 0.0016906963 -98042.044 0.039008034 230722
+ 2095000 240 0.04334226 0.0017846239 -103583.41 0.041175147 230722
+ 2100000 240 0.04334226 0.0018785515 -109104.43 0.04334226 230722
+ 2105000 240 0.04334226 0.0019724791 -114605.51 0.045509373 230722
+ 2110000 240 0.04334226 0.0020664066 -120095.47 0.047676486 230722
+ 2115000 240 0.04334226 0.0021603342 -125574.1 0.049843599 230722
+ 2120000 240 0.04334226 0.0022542618 -131036.24 0.052010712 230722
+ 2125000 240 0.04334226 0.0023481894 -136494.89 0.054177825 230722
+ 2130000 240 0.04334226 0.0024421169 -141965.13 0.056344938 230722
+ 2135000 240 0.04334226 0.0025360445 -147449.55 0.058512051 230722
+ 2140000 240 0.04334226 0.0026299721 -152940.98 0.060679164 230722
+ 2145000 240 0.04334226 0.0027238996 -158434.15 0.062846277 230722
+ 2150000 240 0.04334226 0.0028178272 -163926.66 0.06501339 230722
+ 2155000 240 0.04334226 0.0029117548 -169416.26 0.067180503 230722
+ 2160000 240 0.04334226 0.0030056824 -174906.06 0.069347616 230722
+ 2165000 240 0.04334226 0.0030996099 -180388.78 0.071514729 230722
+ 2170000 240 0.04334226 0.0031935375 -185870.41 0.073681842 230722
+ 2175000 240 0.04334226 0.0032874651 -191361.91 0.075848955 230722
+ 2180000 240 0.04334226 0.0033813927 -196875.59 0.078016068 230722
+ 2185000 240 0.04334226 0.0034753202 -202410.94 0.080183181 230722
+ 2190000 240 0.04334226 0.0035692478 -207963.79 0.082350294 230722
+ 2195000 240 0.04334226 0.0036631754 -213531.25 0.084517407 230722
+ 2200000 240 0.04334226 0.003757103 -219112.3 0.08668452 230722
+ 2205000 240 0.04334226 0.0038510305 -224701.84 0.088851633 230722
+ 2210000 240 0.04334226 0.0039449581 -230298.11 0.091018746 230722
+ 2215000 240 0.04334226 0.0040388857 -235905.52 0.093185859 230722
+ 2220000 240 0.04334226 0.0041328133 -241521.56 0.095352971 230722
+ 2225000 240 0.04334226 0.0042267408 -247153.09 0.097520084 230722
+ 2230000 240 0.04334226 0.0043206684 -252805.08 0.099687197 230722
+ 2230722 240 0.04334226 0.0043342315 -253622.79 0.10000013 230722
+Loop time of 5.8418 on 1 procs for 230722 steps with 240 atoms
+
+99.2% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 4.4716 | 4.4716 | 4.4716 | 0.0 | 76.54
+Neigh | 0.000808 | 0.000808 | 0.000808 | 0.0 | 0.01
+Comm | 0.54579 | 0.54579 | 0.54579 | 0.0 | 9.34
+Output | 0.0066247 | 0.0066247 | 0.0066247 | 0.0 | 0.11
+Modify | 0.59811 | 0.59811 | 0.59811 | 0.0 | 10.24
+Other | | 0.2189 | | | 3.75
+
+Nlocal: 240.000 ave 240 max 240 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost: 113.000 ave 113 max 113 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs: 707.000 ave 707 max 707 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 707
+Ave neighs/atom = 2.9458333
+Neighbor list builds = 17
+Dangerous builds = 0
+
+write_data box_sheared.data
+System init for write_data ...
+
+Total wall time: 0:00:05
diff --git a/DATASET/P=190000Pa/1_generate_conf_190000Pa.in b/DATASET/P=190000Pa/1_generate_conf_190000Pa.in
new file mode 100644
index 0000000..370ea23
--- /dev/null
+++ b/DATASET/P=190000Pa/1_generate_conf_190000Pa.in
@@ -0,0 +1,265 @@
+atom_style sphere
+atom_modify map array
+dimension 2
+boundary p p p
+newton off
+comm_modify vel yes
+units si
+
+region reg block 0.0 0.1 0 0.1 -0.0005 0.0005 units box
+variable confinement_pressure equal 190000
+
+# How many grain/atom types
+create_box 6 reg
+
+# Size of bins for more efficiently searching for grain contacts.
+neighbor 0.001 bin
+
+# Reconstruct the neighbor list without any delay, every time-step
+neigh_modify delay 0
+
+# Glass marbles, tangential force
+pair_style gran/hertz/history 36630036630.0 0.0 0.2 NULL 0.0 0
+
+pair_coeff * *
+
+timestep 1e-8
+
+fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
+
+# Particle insertion in regions
+
+region region_gouge_1 block 0.00 0.1 0.0000 0.0025 -0.0005 0.0005 units box
+region region_gouge_2 block 0.00 0.1 0.0025 0.0050 -0.0005 0.0005 units box
+region region_gouge_3 block 0.00 0.1 0.0050 0.0075 -0.0005 0.0005 units box
+region region_gouge_4 block 0.00 0.1 0.0075 0.0100 -0.0005 0.0005 units box
+region region_gouge_5 block 0.00 0.1 0.0100 0.0125 -0.0005 0.0005 units box
+region region_gouge_6 block 0.00 0.1 0.0125 0.0150 -0.0005 0.0005 units box
+region region_gouge_7 block 0.00 0.1 0.0150 0.0175 -0.0005 0.0005 units box
+region region_gouge_8 block 0.00 0.1 0.0175 0.0200 -0.0005 0.0005 units box
+region region_gouge_9 block 0.00 0.1 0.0200 0.0225 -0.0005 0.0005 units box
+region region_gouge_10 block 0.00 0.1 0.0225 0.0250 -0.0005 0.0005 units box
+region region_gouge_11 block 0.00 0.1 0.0250 0.0275 -0.0005 0.0005 units box
+region region_gouge_12 block 0.00 0.1 0.0275 0.0300 -0.0005 0.0005 units box
+region region_gouge_13 block 0.00 0.1 0.0300 0.0325 -0.0005 0.0005 units box
+region region_gouge_14 block 0.00 0.1 0.0325 0.0350 -0.0005 0.0005 units box
+region region_gouge_15 block 0.00 0.1 0.0350 0.0375 -0.0005 0.0005 units box
+region region_gouge_16 block 0.00 0.1 0.0375 0.0400 -0.0005 0.0005 units box
+region region_gouge_17 block 0.00 0.1 0.0400 0.0425 -0.0005 0.0005 units box
+region region_gouge_18 block 0.00 0.1 0.0425 0.0450 -0.0005 0.0005 units box
+region region_gouge_19 block 0.00 0.1 0.0450 0.0475 -0.0005 0.0005 units box
+region region_gouge_20 block 0.00 0.1 0.0475 0.0500 -0.0005 0.0005 units box
+region region_gouge_21 block 0.00 0.1 0.0500 0.0525 -0.0005 0.0005 units box
+region region_gouge_22 block 0.00 0.1 0.0525 0.0550 -0.0005 0.0005 units box
+region region_gouge_23 block 0.00 0.1 0.0550 0.0575 -0.0005 0.0005 units box
+region region_gouge_24 block 0.00 0.1 0.0575 0.0600 -0.0005 0.0005 units box
+region region_gouge_25 block 0.00 0.1 0.0600 0.0625 -0.0005 0.0005 units box
+region region_gouge_26 block 0.00 0.1 0.0625 0.0650 -0.0005 0.0005 units box
+region region_gouge_27 block 0.00 0.1 0.0650 0.0675 -0.0005 0.0005 units box
+region region_gouge_28 block 0.00 0.1 0.0675 0.0700 -0.0005 0.0005 units box
+region region_gouge_29 block 0.00 0.1 0.0700 0.0725 -0.0005 0.0005 units box
+region region_gouge_30 block 0.00 0.1 0.0725 0.0750 -0.0005 0.0005 units box
+region region_gouge_31 block 0.00 0.1 0.0750 0.0775 -0.0005 0.0005 units box
+region region_gouge_32 block 0.00 0.1 0.0775 0.0800 -0.0005 0.0005 units box
+region region_gouge_33 block 0.00 0.1 0.0800 0.0825 -0.0005 0.0005 units box
+region region_gouge_34 block 0.00 0.1 0.0825 0.0850 -0.0005 0.0005 units box
+region region_gouge_35 block 0.00 0.1 0.0850 0.0875 -0.0005 0.0005 units box
+region region_gouge_36 block 0.00 0.1 0.0875 0.0900 -0.0005 0.0005 units box
+region region_gouge_37 block 0.00 0.1 0.0900 0.0925 -0.0005 0.0005 units box
+region region_gouge_38 block 0.00 0.1 0.0925 0.0950 -0.0005 0.0005 units box
+region region_gouge_39 block 0.00 0.1 0.0950 0.0975 -0.0005 0.0005 units box
+region region_gouge_40 block 0.00 0.1 0.0975 0.1000 -0.0005 0.0005 units box
+
+group nve_group region region_gouge_1
+group nve_group region region_gouge_2
+group nve_group region region_gouge_3
+group nve_group region region_gouge_4
+group nve_group region region_gouge_5
+group nve_group region region_gouge_6
+group nve_group region region_gouge_7
+group nve_group region region_gouge_8
+group nve_group region region_gouge_9
+group nve_group region region_gouge_10
+group nve_group region region_gouge_11
+group nve_group region region_gouge_12
+group nve_group region region_gouge_13
+group nve_group region region_gouge_14
+group nve_group region region_gouge_15
+group nve_group region region_gouge_16
+group nve_group region region_gouge_17
+group nve_group region region_gouge_18
+group nve_group region region_gouge_19
+group nve_group region region_gouge_20
+group nve_group region region_gouge_21
+group nve_group region region_gouge_22
+group nve_group region region_gouge_23
+group nve_group region region_gouge_24
+group nve_group region region_gouge_25
+group nve_group region region_gouge_26
+group nve_group region region_gouge_27
+group nve_group region region_gouge_28
+group nve_group region region_gouge_29
+group nve_group region region_gouge_30
+group nve_group region region_gouge_31
+group nve_group region region_gouge_32
+group nve_group region region_gouge_33
+group nve_group region region_gouge_34
+group nve_group region region_gouge_35
+group nve_group region region_gouge_36
+group nve_group region region_gouge_37
+group nve_group region region_gouge_38
+group nve_group region region_gouge_39
+group nve_group region region_gouge_40
+
+fix ins_1 nve_group pour 50000 1 253 region region_gouge_1 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_2 nve_group pour 50000 1 499 region region_gouge_2 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_3 nve_group pour 50000 1 754 region region_gouge_3 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_4 nve_group pour 50000 1 35 region region_gouge_4 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_5 nve_group pour 50000 1 727 region region_gouge_5 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_6 nve_group pour 50000 1 849 region region_gouge_6 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_7 nve_group pour 50000 1 90 region region_gouge_7 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_8 nve_group pour 50000 1 776 region region_gouge_8 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_9 nve_group pour 50000 1 605 region region_gouge_9 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_10 nve_group pour 50000 1 922 region region_gouge_10 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_11 nve_group pour 50000 1 970 region region_gouge_11 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_12 nve_group pour 50000 1 602 region region_gouge_12 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_13 nve_group pour 50000 1 418 region region_gouge_13 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_14 nve_group pour 50000 1 115 region region_gouge_14 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_15 nve_group pour 50000 1 617 region region_gouge_15 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_16 nve_group pour 50000 1 903 region region_gouge_16 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_17 nve_group pour 50000 1 196 region region_gouge_17 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_18 nve_group pour 50000 1 826 region region_gouge_18 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_19 nve_group pour 50000 1 501 region region_gouge_19 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_20 nve_group pour 50000 1 626 region region_gouge_20 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_21 nve_group pour 50000 1 493 region region_gouge_21 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_22 nve_group pour 50000 1 75 region region_gouge_22 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_23 nve_group pour 50000 1 413 region region_gouge_23 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_24 nve_group pour 50000 1 376 region region_gouge_24 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_25 nve_group pour 50000 1 420 region region_gouge_25 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_26 nve_group pour 50000 1 729 region region_gouge_26 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_27 nve_group pour 50000 1 277 region region_gouge_27 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_28 nve_group pour 50000 1 761 region region_gouge_28 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_29 nve_group pour 50000 1 676 region region_gouge_29 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_30 nve_group pour 50000 1 394 region region_gouge_30 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_31 nve_group pour 50000 1 869 region region_gouge_31 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_32 nve_group pour 50000 1 457 region region_gouge_32 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_33 nve_group pour 50000 1 920 region region_gouge_33 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_34 nve_group pour 50000 1 192 region region_gouge_34 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_35 nve_group pour 50000 1 739 region region_gouge_35 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_36 nve_group pour 50000 1 689 region region_gouge_36 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_37 nve_group pour 50000 1 99 region region_gouge_37 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_38 nve_group pour 50000 1 548 region region_gouge_38 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_39 nve_group pour 50000 1 978 region region_gouge_39 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_40 nve_group pour 50000 1 999 region region_gouge_40 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+
+run 1
+
+set group nve_group density/disc 2.5
+fix integr nve_group nve/sphere disc
+fix makeit2d all enforce2d
+
+thermo 1
+thermo_modify lost ignore norm no
+
+# Unfix particle insertion
+
+unfix ins_1
+unfix ins_2
+unfix ins_3
+unfix ins_4
+unfix ins_5
+unfix ins_6
+unfix ins_7
+unfix ins_8
+unfix ins_9
+unfix ins_10
+unfix ins_11
+unfix ins_12
+unfix ins_13
+unfix ins_14
+unfix ins_15
+unfix ins_16
+unfix ins_17
+unfix ins_18
+unfix ins_19
+unfix ins_20
+unfix ins_21
+unfix ins_22
+unfix ins_23
+unfix ins_24
+unfix ins_25
+unfix ins_26
+unfix ins_27
+unfix ins_28
+unfix ins_29
+unfix ins_30
+unfix ins_31
+unfix ins_32
+unfix ins_33
+unfix ins_34
+unfix ins_35
+unfix ins_36
+unfix ins_37
+unfix ins_38
+unfix ins_39
+unfix ins_40
+
+run 100 upto
+
+# Set gouge layer grain density
+set group all density/disc 2.5
+
+# Apply NVE integration to all particles
+fix integr all nve/sphere disc
+
+# Output settings
+compute 1 all erotate/sphere
+compute 2 all contact/atom
+compute 3 all ke
+
+variable Sxx equal pxx
+variable Syy equal pyy
+variable TotalPressure equal (v_Sxx+v_Syy)/2.0
+
+thermo_style custom step atoms ke pxx pyy v_TotalPressure ly
+thermo 50000
+thermo_modify lost ignore norm no
+
+set group all density/disc 2.5
+
+# Stop the confining pressure once the pressure is superior to the desired pressure
+fix condition all halt 1 v_Syy > ${confinement_pressure} error continue
+fix def all deform 1 x erate -50 y erate -50 z erate 0
+
+run 1500000
+unfix def
+unfix condition
+
+run 10000
+
+# Check if the pressure does not decrease
+label loopa
+variable a loop 1000
+ label loopb
+ variable P equal pyy
+ variable b loop 1000
+ if "${P} > ${confinement_pressure}" then "jump SELF break"
+ fix def all deform 1 x erate -10 y erate -10 z erate 0
+ run 1000
+ unfix def
+ run 10000
+ next b
+ jump SELF loopb
+ label break
+ variable b delete
+if "${P} > ${confinement_pressure}" then "jump SELF break2"
+next a
+jump SELF loopa
+label break2
+print "Over"
+
+restart 1000000 confined.restart confined2.restart
+
+run 1000000
+
+write_data box_confined.data
\ No newline at end of file
diff --git a/DATASET/P=190000Pa/2_shear.in b/DATASET/P=190000Pa/2_shear.in
new file mode 100644
index 0000000..1547629
--- /dev/null
+++ b/DATASET/P=190000Pa/2_shear.in
@@ -0,0 +1,36 @@
+read_restart confined.restart
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+
+fix 2 all deform 1 xy erate ${rate}
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+
+write_data box_sheared.data
+
diff --git a/DATASET/P=190000Pa/StrainStress.txt b/DATASET/P=190000Pa/StrainStress.txt
new file mode 100644
index 0000000..b34e9be
--- /dev/null
+++ b/DATASET/P=190000Pa/StrainStress.txt
@@ -0,0 +1,1003 @@
+# Fix print output for fix output_file
+4.41782696697192e-05 3584.6385796520803524
+0.000144021159123558 3280.206194153562592
+0.00024386404857724 2975.7913393469402763
+0.000343706938030921 2671.3993766159601364
+0.000443549827484603 2367.0042473656235416
+0.000543392716938285 2062.6007173021275776
+0.000643235606392124 1758.2349110422533158
+0.000743078495845805 1453.8611523981587652
+0.000842921385299487 1149.477944422538485
+0.000942764274753169 845.0913206096175827
+0.00104260716420685 540.71082759153910047
+0.00114245005366069 236.34140296337182008
+0.00124229294311437 -68.037258849676661043
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+0.0019411931692903 -2198.7257166421031798
+0.00204103605874398 -2503.0910473571943839
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diff --git a/DATASET/P=190000Pa/box_confined.data b/DATASET/P=190000Pa/box_confined.data
new file mode 100644
index 0000000..c684dd2
--- /dev/null
+++ b/DATASET/P=190000Pa/box_confined.data
@@ -0,0 +1,494 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2224739
+
+240 atoms
+6 atom types
+
+0.027910865165107886 0.07208913483489211 xlo xhi
+0.027910865165107886 0.07208913483489211 ylo yhi
+-0.0005 0.0005 zlo zhi
+
+Atoms # sphere
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+216 -14.789295690468714 12.583161403739322 0 0 0 0
+6 0.1910972120287331 9.967619988229158 0 0 0 0
+231 44.6035899188026 14.63222561169874 0 0 0 0
+228 -27.094979734629547 2.651442468606913 0 0 0 0
+234 3.3212800765101784 -28.38492012978573 0 0 0 0
+238 -11.034800505001076 -25.634361034226146 0 0 0 0
+224 -23.585902589403645 -2.231766992196451 0 0 0 0
+5 -43.62820013916338 19.118562634845635 0 0 0 0
+236 61.819116788699894 103.27795857978667 0 0 0 0
+223 9.268893388202349 -13.73622871148479 0 0 0 0
+237 -13.212470035107525 1.0425422370525939 0 0 0 0
diff --git a/DATASET/P=190000Pa/box_sheared.data b/DATASET/P=190000Pa/box_sheared.data
new file mode 100644
index 0000000..619a6be
--- /dev/null
+++ b/DATASET/P=190000Pa/box_sheared.data
@@ -0,0 +1,495 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2226356
+
+240 atoms
+6 atom types
+
+0.027910865165107886 0.07208913483489211 xlo xhi
+0.027910865165107886 0.07208913483489211 ylo yhi
+-0.0005 0.0005 zlo zhi
+0.004417834216355776 0 0 xy xz yz
+
+Atoms # sphere
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diff --git a/DATASET/P=190000Pa/confined.restart b/DATASET/P=190000Pa/confined.restart
new file mode 100644
index 0000000..5c7cb2b
Binary files /dev/null and b/DATASET/P=190000Pa/confined.restart differ
diff --git a/DATASET/P=190000Pa/log.lammps b/DATASET/P=190000Pa/log.lammps
new file mode 100644
index 0000000..2ed4882
--- /dev/null
+++ b/DATASET/P=190000Pa/log.lammps
@@ -0,0 +1,149 @@
+LAMMPS (29 Sep 2021 - Update 3)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
+ using 1 OpenMP thread(s) per MPI task
+read_restart confined.restart
+Reading restart file ...
+ restart file = 29 Sep 2021, LAMMPS = 29 Sep 2021
+ restoring atom style sphere from restart
+ orthogonal box = (0.027910865 0.027910865 -0.00050000000) to (0.072089135 0.072089135 0.00050000000)
+ 1 by 1 by 1 MPI processor grid
+ restoring pair style gran/hertz/history from restart
+ 240 atoms
+ read_restart CPU = 0.001 seconds
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable nb_step equal 226356
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+variable print_freq equal 226
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+Changing box ...
+ triclinic box = (0.027910865 0.027910865 -0.00050000000) to (0.072089135 0.072089135 0.00050000000) with tilt (0.0000000 0.0000000 0.0000000)
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+timestep 0.01
+
+fix 2 all deform 1 xy erate ${rate}
+fix 2 all deform 1 xy erate 4.41782696697842e-05
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+fix output_file all print 226 "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+run 226356
+Resetting global fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+Resetting peratom fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+All restart file global fix info was re-assigned
+All restart file peratom fix info was re-assigned
+Neighbor list info ...
+ update every 1 steps, delay 10 steps, check yes
+ max neighbors/atom: 2000, page size: 100000
+ master list distance cutoff = 0.0045
+ ghost atom cutoff = 0.0045
+ binsize = 0.00225, bins = 20 20 1
+ 1 neighbor lists, perpetual/occasional/extra = 1 0 0
+ (1) pair gran/hertz/history, perpetual
+ attributes: half, newton on, size, history
+ pair build: half/size/bin/newton/tri
+ stencil: half/bin/2d/tri
+ bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.981 | 9.981 | 9.981 Mbytes
+Step Atoms Lx Xy Pxy v_eps v_nb_step
+ 2000000 240 0.04417827 0 3718.0005 0 226356
+ 2005000 240 0.04417827 9.7585976e-05 -3014.8318 0.0022089135 226356
+ 2010000 240 0.04417827 0.00019517195 -9745.6388 0.004417827 226356
+ 2015000 240 0.04417827 0.00029275793 -16466.887 0.0066267405 226356
+ 2020000 240 0.04417827 0.0003903439 -23174.59 0.0088356539 226356
+ 2025000 240 0.04417827 0.00048792988 -29852.399 0.011044567 226356
+ 2030000 240 0.04417827 0.00058551585 -36484.237 0.013253481 226356
+ 2035000 240 0.04417827 0.00068310183 -43074.673 0.015462394 226356
+ 2040000 240 0.04417827 0.0007806878 -49612.78 0.017671308 226356
+ 2045000 240 0.04417827 0.00087827378 -56084.975 0.019880221 226356
+ 2050000 240 0.04417827 0.00097585976 -62505.389 0.022089135 226356
+ 2055000 240 0.04417827 0.0010734457 -68893.58 0.024298048 226356
+ 2060000 240 0.04417827 0.0011710317 -75250.687 0.026506962 226356
+ 2065000 240 0.04417827 0.0012686177 -81571.294 0.028715875 226356
+ 2070000 240 0.04417827 0.0013662037 -87847.678 0.030924789 226356
+ 2075000 240 0.04417827 0.0014637896 -94067.226 0.033133702 226356
+ 2080000 240 0.04417827 0.0015613756 -100243.94 0.035342616 226356
+ 2085000 240 0.04417827 0.0016589616 -106376.76 0.037551529 226356
+ 2090000 240 0.04417827 0.0017565476 -112438.49 0.039760443 226356
+ 2095000 240 0.04417827 0.0018541335 -118435.34 0.041969356 226356
+ 2100000 240 0.04417827 0.0019517195 -124390.52 0.04417827 226356
+ 2105000 240 0.04417827 0.0020493055 -130296.67 0.046387183 226356
+ 2110000 240 0.04417827 0.0021468915 -136147.85 0.048596097 226356
+ 2115000 240 0.04417827 0.0022444774 -141942.7 0.05080501 226356
+ 2120000 240 0.04417827 0.0023420634 -147692.24 0.053013924 226356
+ 2125000 240 0.04417827 0.0024396494 -153396.89 0.055222837 226356
+ 2130000 240 0.04417827 0.0025372354 -159059.75 0.057431751 226356
+ 2135000 240 0.04417827 0.0026348213 -164696.54 0.059640664 226356
+ 2140000 240 0.04417827 0.0027324073 -170312.39 0.061849578 226356
+ 2145000 240 0.04417827 0.0028299933 -175894.41 0.064058491 226356
+ 2150000 240 0.04417827 0.0029275793 -181447.82 0.066267405 226356
+ 2155000 240 0.04417827 0.0030251652 -187000.2 0.068476318 226356
+ 2160000 240 0.04417827 0.0031227512 -192553.57 0.070685231 226356
+ 2165000 240 0.04417827 0.0032203372 -198103.92 0.072894145 226356
+ 2170000 240 0.04417827 0.0033179232 -203657.15 0.075103058 226356
+ 2175000 240 0.04417827 0.0034155091 -209211.98 0.077311972 226356
+ 2180000 240 0.04417827 0.0035130951 -214767.48 0.079520885 226356
+ 2185000 240 0.04417827 0.0036106811 -220330.1 0.081729799 226356
+ 2190000 240 0.04417827 0.0037082671 -225904.83 0.083938712 226356
+ 2195000 240 0.04417827 0.003805853 -231490.88 0.086147626 226356
+ 2200000 240 0.04417827 0.003903439 -237090.31 0.088356539 226356
+ 2205000 240 0.04417827 0.004001025 -242706.81 0.090565453 226356
+ 2210000 240 0.04417827 0.004098611 -248338.66 0.092774366 226356
+ 2215000 240 0.04417827 0.0041961969 -253987.21 0.09498328 226356
+ 2220000 240 0.04417827 0.0042937829 -259650.75 0.097192193 226356
+ 2225000 240 0.04417827 0.0043913689 -265325.84 0.099401107 226356
+ 2226356 240 0.04417827 0.0044178342 -266867.78 0.10000016 226356
+Loop time of 5.90837 on 1 procs for 226356 steps with 240 atoms
+
+99.4% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 4.6117 | 4.6117 | 4.6117 | 0.0 | 78.05
+Neigh | 0.00075626 | 0.00075626 | 0.00075626 | 0.0 | 0.01
+Comm | 0.48094 | 0.48094 | 0.48094 | 0.0 | 8.14
+Output | 0.016387 | 0.016387 | 0.016387 | 0.0 | 0.28
+Modify | 0.58882 | 0.58882 | 0.58882 | 0.0 | 9.97
+Other | | 0.2098 | | | 3.55
+
+Nlocal: 240.000 ave 240 max 240 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost: 99.0000 ave 99 max 99 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs: 702.000 ave 702 max 702 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 702
+Ave neighs/atom = 2.9250000
+Neighbor list builds = 17
+Dangerous builds = 0
+
+write_data box_sheared.data
+System init for write_data ...
+
+Total wall time: 0:00:05
diff --git a/DATASET/P=200000Pa/1_generate_conf_200000Pa.in b/DATASET/P=200000Pa/1_generate_conf_200000Pa.in
new file mode 100644
index 0000000..4453f57
--- /dev/null
+++ b/DATASET/P=200000Pa/1_generate_conf_200000Pa.in
@@ -0,0 +1,265 @@
+atom_style sphere
+atom_modify map array
+dimension 2
+boundary p p p
+newton off
+comm_modify vel yes
+units si
+
+region reg block 0.0 0.1 0 0.1 -0.0005 0.0005 units box
+variable confinement_pressure equal 200000
+
+# How many grain/atom types
+create_box 6 reg
+
+# Size of bins for more efficiently searching for grain contacts.
+neighbor 0.001 bin
+
+# Reconstruct the neighbor list without any delay, every time-step
+neigh_modify delay 0
+
+# Glass marbles, tangential force
+pair_style gran/hertz/history 36630036630.0 0.0 0.2 NULL 0.0 0
+
+pair_coeff * *
+
+timestep 1e-8
+
+fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
+
+# Particle insertion in regions
+
+region region_gouge_1 block 0.00 0.1 0.0000 0.0025 -0.0005 0.0005 units box
+region region_gouge_2 block 0.00 0.1 0.0025 0.0050 -0.0005 0.0005 units box
+region region_gouge_3 block 0.00 0.1 0.0050 0.0075 -0.0005 0.0005 units box
+region region_gouge_4 block 0.00 0.1 0.0075 0.0100 -0.0005 0.0005 units box
+region region_gouge_5 block 0.00 0.1 0.0100 0.0125 -0.0005 0.0005 units box
+region region_gouge_6 block 0.00 0.1 0.0125 0.0150 -0.0005 0.0005 units box
+region region_gouge_7 block 0.00 0.1 0.0150 0.0175 -0.0005 0.0005 units box
+region region_gouge_8 block 0.00 0.1 0.0175 0.0200 -0.0005 0.0005 units box
+region region_gouge_9 block 0.00 0.1 0.0200 0.0225 -0.0005 0.0005 units box
+region region_gouge_10 block 0.00 0.1 0.0225 0.0250 -0.0005 0.0005 units box
+region region_gouge_11 block 0.00 0.1 0.0250 0.0275 -0.0005 0.0005 units box
+region region_gouge_12 block 0.00 0.1 0.0275 0.0300 -0.0005 0.0005 units box
+region region_gouge_13 block 0.00 0.1 0.0300 0.0325 -0.0005 0.0005 units box
+region region_gouge_14 block 0.00 0.1 0.0325 0.0350 -0.0005 0.0005 units box
+region region_gouge_15 block 0.00 0.1 0.0350 0.0375 -0.0005 0.0005 units box
+region region_gouge_16 block 0.00 0.1 0.0375 0.0400 -0.0005 0.0005 units box
+region region_gouge_17 block 0.00 0.1 0.0400 0.0425 -0.0005 0.0005 units box
+region region_gouge_18 block 0.00 0.1 0.0425 0.0450 -0.0005 0.0005 units box
+region region_gouge_19 block 0.00 0.1 0.0450 0.0475 -0.0005 0.0005 units box
+region region_gouge_20 block 0.00 0.1 0.0475 0.0500 -0.0005 0.0005 units box
+region region_gouge_21 block 0.00 0.1 0.0500 0.0525 -0.0005 0.0005 units box
+region region_gouge_22 block 0.00 0.1 0.0525 0.0550 -0.0005 0.0005 units box
+region region_gouge_23 block 0.00 0.1 0.0550 0.0575 -0.0005 0.0005 units box
+region region_gouge_24 block 0.00 0.1 0.0575 0.0600 -0.0005 0.0005 units box
+region region_gouge_25 block 0.00 0.1 0.0600 0.0625 -0.0005 0.0005 units box
+region region_gouge_26 block 0.00 0.1 0.0625 0.0650 -0.0005 0.0005 units box
+region region_gouge_27 block 0.00 0.1 0.0650 0.0675 -0.0005 0.0005 units box
+region region_gouge_28 block 0.00 0.1 0.0675 0.0700 -0.0005 0.0005 units box
+region region_gouge_29 block 0.00 0.1 0.0700 0.0725 -0.0005 0.0005 units box
+region region_gouge_30 block 0.00 0.1 0.0725 0.0750 -0.0005 0.0005 units box
+region region_gouge_31 block 0.00 0.1 0.0750 0.0775 -0.0005 0.0005 units box
+region region_gouge_32 block 0.00 0.1 0.0775 0.0800 -0.0005 0.0005 units box
+region region_gouge_33 block 0.00 0.1 0.0800 0.0825 -0.0005 0.0005 units box
+region region_gouge_34 block 0.00 0.1 0.0825 0.0850 -0.0005 0.0005 units box
+region region_gouge_35 block 0.00 0.1 0.0850 0.0875 -0.0005 0.0005 units box
+region region_gouge_36 block 0.00 0.1 0.0875 0.0900 -0.0005 0.0005 units box
+region region_gouge_37 block 0.00 0.1 0.0900 0.0925 -0.0005 0.0005 units box
+region region_gouge_38 block 0.00 0.1 0.0925 0.0950 -0.0005 0.0005 units box
+region region_gouge_39 block 0.00 0.1 0.0950 0.0975 -0.0005 0.0005 units box
+region region_gouge_40 block 0.00 0.1 0.0975 0.1000 -0.0005 0.0005 units box
+
+group nve_group region region_gouge_1
+group nve_group region region_gouge_2
+group nve_group region region_gouge_3
+group nve_group region region_gouge_4
+group nve_group region region_gouge_5
+group nve_group region region_gouge_6
+group nve_group region region_gouge_7
+group nve_group region region_gouge_8
+group nve_group region region_gouge_9
+group nve_group region region_gouge_10
+group nve_group region region_gouge_11
+group nve_group region region_gouge_12
+group nve_group region region_gouge_13
+group nve_group region region_gouge_14
+group nve_group region region_gouge_15
+group nve_group region region_gouge_16
+group nve_group region region_gouge_17
+group nve_group region region_gouge_18
+group nve_group region region_gouge_19
+group nve_group region region_gouge_20
+group nve_group region region_gouge_21
+group nve_group region region_gouge_22
+group nve_group region region_gouge_23
+group nve_group region region_gouge_24
+group nve_group region region_gouge_25
+group nve_group region region_gouge_26
+group nve_group region region_gouge_27
+group nve_group region region_gouge_28
+group nve_group region region_gouge_29
+group nve_group region region_gouge_30
+group nve_group region region_gouge_31
+group nve_group region region_gouge_32
+group nve_group region region_gouge_33
+group nve_group region region_gouge_34
+group nve_group region region_gouge_35
+group nve_group region region_gouge_36
+group nve_group region region_gouge_37
+group nve_group region region_gouge_38
+group nve_group region region_gouge_39
+group nve_group region region_gouge_40
+
+fix ins_1 nve_group pour 50000 1 96 region region_gouge_1 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_2 nve_group pour 50000 1 664 region region_gouge_2 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_3 nve_group pour 50000 1 663 region region_gouge_3 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_4 nve_group pour 50000 1 190 region region_gouge_4 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_5 nve_group pour 50000 1 736 region region_gouge_5 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_6 nve_group pour 50000 1 37 region region_gouge_6 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_7 nve_group pour 50000 1 780 region region_gouge_7 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_8 nve_group pour 50000 1 369 region region_gouge_8 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_9 nve_group pour 50000 1 695 region region_gouge_9 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_10 nve_group pour 50000 1 525 region region_gouge_10 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_11 nve_group pour 50000 1 279 region region_gouge_11 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_12 nve_group pour 50000 1 217 region region_gouge_12 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_13 nve_group pour 50000 1 867 region region_gouge_13 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_14 nve_group pour 50000 1 873 region region_gouge_14 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_15 nve_group pour 50000 1 798 region region_gouge_15 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_16 nve_group pour 50000 1 273 region region_gouge_16 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_17 nve_group pour 50000 1 881 region region_gouge_17 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_18 nve_group pour 50000 1 62 region region_gouge_18 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_19 nve_group pour 50000 1 596 region region_gouge_19 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_20 nve_group pour 50000 1 880 region region_gouge_20 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_21 nve_group pour 50000 1 729 region region_gouge_21 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_22 nve_group pour 50000 1 342 region region_gouge_22 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_23 nve_group pour 50000 1 397 region region_gouge_23 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_24 nve_group pour 50000 1 699 region region_gouge_24 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_25 nve_group pour 50000 1 19 region region_gouge_25 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_26 nve_group pour 50000 1 177 region region_gouge_26 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_27 nve_group pour 50000 1 612 region region_gouge_27 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_28 nve_group pour 50000 1 396 region region_gouge_28 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_29 nve_group pour 50000 1 445 region region_gouge_29 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_30 nve_group pour 50000 1 233 region region_gouge_30 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_31 nve_group pour 50000 1 915 region region_gouge_31 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_32 nve_group pour 50000 1 76 region region_gouge_32 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_33 nve_group pour 50000 1 265 region region_gouge_33 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_34 nve_group pour 50000 1 455 region region_gouge_34 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_35 nve_group pour 50000 1 796 region region_gouge_35 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_36 nve_group pour 50000 1 718 region region_gouge_36 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_37 nve_group pour 50000 1 735 region region_gouge_37 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_38 nve_group pour 50000 1 384 region region_gouge_38 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_39 nve_group pour 50000 1 564 region region_gouge_39 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_40 nve_group pour 50000 1 851 region region_gouge_40 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+
+run 1
+
+set group nve_group density/disc 2.5
+fix integr nve_group nve/sphere disc
+fix makeit2d all enforce2d
+
+thermo 1
+thermo_modify lost ignore norm no
+
+# Unfix particle insertion
+
+unfix ins_1
+unfix ins_2
+unfix ins_3
+unfix ins_4
+unfix ins_5
+unfix ins_6
+unfix ins_7
+unfix ins_8
+unfix ins_9
+unfix ins_10
+unfix ins_11
+unfix ins_12
+unfix ins_13
+unfix ins_14
+unfix ins_15
+unfix ins_16
+unfix ins_17
+unfix ins_18
+unfix ins_19
+unfix ins_20
+unfix ins_21
+unfix ins_22
+unfix ins_23
+unfix ins_24
+unfix ins_25
+unfix ins_26
+unfix ins_27
+unfix ins_28
+unfix ins_29
+unfix ins_30
+unfix ins_31
+unfix ins_32
+unfix ins_33
+unfix ins_34
+unfix ins_35
+unfix ins_36
+unfix ins_37
+unfix ins_38
+unfix ins_39
+unfix ins_40
+
+run 100 upto
+
+# Set gouge layer grain density
+set group all density/disc 2.5
+
+# Apply NVE integration to all particles
+fix integr all nve/sphere disc
+
+# Output settings
+compute 1 all erotate/sphere
+compute 2 all contact/atom
+compute 3 all ke
+
+variable Sxx equal pxx
+variable Syy equal pyy
+variable TotalPressure equal (v_Sxx+v_Syy)/2.0
+
+thermo_style custom step atoms ke pxx pyy v_TotalPressure ly
+thermo 50000
+thermo_modify lost ignore norm no
+
+set group all density/disc 2.5
+
+# Stop the confining pressure once the pressure is superior to the desired pressure
+fix condition all halt 1 v_Syy > ${confinement_pressure} error continue
+fix def all deform 1 x erate -50 y erate -50 z erate 0
+
+run 1500000
+unfix def
+unfix condition
+
+run 10000
+
+# Check if the pressure does not decrease
+label loopa
+variable a loop 1000
+ label loopb
+ variable P equal pyy
+ variable b loop 1000
+ if "${P} > ${confinement_pressure}" then "jump SELF break"
+ fix def all deform 1 x erate -10 y erate -10 z erate 0
+ run 1000
+ unfix def
+ run 10000
+ next b
+ jump SELF loopb
+ label break
+ variable b delete
+if "${P} > ${confinement_pressure}" then "jump SELF break2"
+next a
+jump SELF loopa
+label break2
+print "Over"
+
+restart 1000000 confined.restart confined2.restart
+
+run 1000000
+
+write_data box_confined.data
\ No newline at end of file
diff --git a/DATASET/P=200000Pa/2_shear.in b/DATASET/P=200000Pa/2_shear.in
new file mode 100644
index 0000000..1547629
--- /dev/null
+++ b/DATASET/P=200000Pa/2_shear.in
@@ -0,0 +1,36 @@
+read_restart confined.restart
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+
+fix 2 all deform 1 xy erate ${rate}
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+
+write_data box_sheared.data
+
diff --git a/DATASET/P=200000Pa/StrainStress.txt b/DATASET/P=200000Pa/StrainStress.txt
new file mode 100644
index 0000000..6c1eab3
--- /dev/null
+++ b/DATASET/P=200000Pa/StrainStress.txt
@@ -0,0 +1,1002 @@
+# Fix print output for fix output_file
+3.75203380000332e-05 -739.78657313399958184
+0.000137429144999985 -1049.475464064168591
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diff --git a/DATASET/P=200000Pa/box_confined.data b/DATASET/P=200000Pa/box_confined.data
new file mode 100644
index 0000000..77ac1b6
--- /dev/null
+++ b/DATASET/P=200000Pa/box_confined.data
@@ -0,0 +1,494 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2137534
+
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diff --git a/DATASET/P=200000Pa/box_confined.png b/DATASET/P=200000Pa/box_confined.png
new file mode 100644
index 0000000..d46bc5b
Binary files /dev/null and b/DATASET/P=200000Pa/box_confined.png differ
diff --git a/DATASET/P=200000Pa/box_sheared.data b/DATASET/P=200000Pa/box_sheared.data
new file mode 100644
index 0000000..2b21d1a
--- /dev/null
+++ b/DATASET/P=200000Pa/box_sheared.data
@@ -0,0 +1,495 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2229209
+
+240 atoms
+6 atom types
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+0.028185850000000005 0.07181415 ylo yhi
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+201 -39.288614231919254 72.76747676328566 0 0 0 0
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+199 18.195704245572355 -9.676313014046858 0 0 0 0
+203 -23.334173378110297 -14.331532855666833 0 0 0 0
+215 49.87677835384594 -27.05318493330369 0 0 0 0
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+204 -6.790864148851055 10.575402826945078 0 0 0 0
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+206 25.029054803221715 -17.259995426320522 0 0 0 0
+219 36.210948823038244 -20.144697384802697 0 0 0 0
+220 -5.754407276598776 -15.654665999808447 0 0 0 0
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+222 7.935671059432736 -15.000915839420975 0 0 0 0
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+230 -32.30714191840556 -24.681556249237318 0 0 0 0
+221 12.849439511674115 -3.155317994834542 0 0 0 0
+232 -24.189489732068118 28.664318638986753 0 0 0 0
+240 -10.09675629291524 -1.4389270280189226 0 0 0 0
+227 25.422940120901828 -4.898696092045383 0 0 0 0
+238 11.555497499721513 6.824089247350943 0 0 0 0
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+225 -16.507417821616816 2.813417586982176 0 0 0 0
+235 4.513658193510895 9.099978806484602 0 0 0 0
+228 -37.54162782328485 -51.242794188236786 0 0 0 0
+224 16.96057690940933 45.1187497119794 0 0 0 0
+236 -26.501738569419892 -8.969473004379868 0 0 0 0
+226 3.632203853445938 -16.521249628461103 0 0 0 0
+239 -2.957218240070521 -18.944481423903937 0 0 0 0
+5 0.09641564129721475 35.478021994694636 0 0 0 0
+233 -34.687244839978746 -4.606759577277764 0 0 0 0
+237 45.43994478274635 -10.319706758141848 0 0 0 0
diff --git a/DATASET/P=200000Pa/box_sheared.png b/DATASET/P=200000Pa/box_sheared.png
new file mode 100644
index 0000000..77f23ef
Binary files /dev/null and b/DATASET/P=200000Pa/box_sheared.png differ
diff --git a/DATASET/P=200000Pa/confined.restart b/DATASET/P=200000Pa/confined.restart
new file mode 100644
index 0000000..9872840
Binary files /dev/null and b/DATASET/P=200000Pa/confined.restart differ
diff --git a/DATASET/P=200000Pa/log.lammps b/DATASET/P=200000Pa/log.lammps
new file mode 100644
index 0000000..4ea7f13
--- /dev/null
+++ b/DATASET/P=200000Pa/log.lammps
@@ -0,0 +1,149 @@
+LAMMPS (29 Sep 2021 - Update 3)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
+ using 1 OpenMP thread(s) per MPI task
+read_restart confined.restart
+Reading restart file ...
+ restart file = 29 Sep 2021, LAMMPS = 29 Sep 2021
+ restoring atom style sphere from restart
+ orthogonal box = (0.028185850 0.028185850 -0.00050000000) to (0.071814150 0.071814150 0.00050000000)
+ 1 by 1 by 1 MPI processor grid
+ restoring pair style gran/hertz/history from restart
+ 240 atoms
+ read_restart CPU = 0.001 seconds
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable nb_step equal 229209
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+variable print_freq equal 229
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+Changing box ...
+ triclinic box = (0.028185850 0.028185850 -0.00050000000) to (0.071814150 0.071814150 0.00050000000) with tilt (0.0000000 0.0000000 0.0000000)
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+timestep 0.01
+
+fix 2 all deform 1 xy erate ${rate}
+fix 2 all deform 1 xy erate 4.36283e-05
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+fix output_file all print 229 "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+run 229209
+Resetting global fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+Resetting peratom fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+All restart file global fix info was re-assigned
+All restart file peratom fix info was re-assigned
+Neighbor list info ...
+ update every 1 steps, delay 10 steps, check yes
+ max neighbors/atom: 2000, page size: 100000
+ master list distance cutoff = 0.0045
+ ghost atom cutoff = 0.0045
+ binsize = 0.00225, bins = 20 20 1
+ 1 neighbor lists, perpetual/occasional/extra = 1 0 0
+ (1) pair gran/hertz/history, perpetual
+ attributes: half, newton on, size, history
+ pair build: half/size/bin/newton/tri
+ stencil: half/bin/2d/tri
+ bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.981 | 9.981 | 9.981 Mbytes
+Step Atoms Lx Xy Pxy v_eps v_nb_step
+ 2000000 240 0.0436283 0 -624.83546 0 229209
+ 2005000 240 0.0436283 9.5171428e-05 -7386.7698 0.002181415 229209
+ 2010000 240 0.0436283 0.00019034286 -14157.566 0.00436283 229209
+ 2015000 240 0.0436283 0.00028551428 -20924.182 0.006544245 229209
+ 2020000 240 0.0436283 0.00038068571 -27671.303 0.00872566 229209
+ 2025000 240 0.0436283 0.00047585714 -34427.28 0.010907075 229209
+ 2030000 240 0.0436283 0.00057102857 -41176.761 0.01308849 229209
+ 2035000 240 0.0436283 0.0006662 -47921.547 0.015269905 229209
+ 2040000 240 0.0436283 0.00076137142 -54665.87 0.01745132 229209
+ 2045000 240 0.0436283 0.00085654285 -61392.838 0.019632735 229209
+ 2050000 240 0.0436283 0.00095171428 -68094.861 0.02181415 229209
+ 2055000 240 0.0436283 0.0010468857 -74758.616 0.023995565 229209
+ 2060000 240 0.0436283 0.0011420571 -81382.83 0.02617698 229209
+ 2065000 240 0.0436283 0.0012372286 -87969.332 0.028358395 229209
+ 2070000 240 0.0436283 0.0013324 -94524.433 0.03053981 229209
+ 2075000 240 0.0436283 0.0014275714 -101054.65 0.032721225 229209
+ 2080000 240 0.0436283 0.0015227428 -107549.49 0.03490264 229209
+ 2085000 240 0.0436283 0.0016179143 -113995.14 0.037084055 229209
+ 2090000 240 0.0436283 0.0017130857 -120389.71 0.03926547 229209
+ 2095000 240 0.0436283 0.0018082571 -126730.85 0.041446885 229209
+ 2100000 240 0.0436283 0.0019034286 -133023.34 0.0436283 229209
+ 2105000 240 0.0436283 0.0019986 -139261.62 0.045809715 229209
+ 2110000 240 0.0436283 0.0020937714 -145438.2 0.04799113 229209
+ 2115000 240 0.0436283 0.0021889428 -151570.01 0.050172545 229209
+ 2120000 240 0.0436283 0.0022841143 -157670.41 0.05235396 229209
+ 2125000 240 0.0436283 0.0023792857 -163740.43 0.054535375 229209
+ 2130000 240 0.0436283 0.0024744571 -169773.27 0.05671679 229209
+ 2135000 240 0.0436283 0.0025696286 -175760.94 0.058898205 229209
+ 2140000 240 0.0436283 0.0026648 -181729.3 0.06107962 229209
+ 2145000 240 0.0436283 0.0027599714 -187690.59 0.063261035 229209
+ 2150000 240 0.0436283 0.0028551428 -193649.9 0.06544245 229209
+ 2155000 240 0.0436283 0.0029503143 -199600.58 0.067623865 229209
+ 2160000 240 0.0436283 0.0030454857 -205535.94 0.06980528 229209
+ 2165000 240 0.0436283 0.0031406571 -211466.09 0.071986695 229209
+ 2170000 240 0.0436283 0.0032358286 -217401.33 0.07416811 229209
+ 2175000 240 0.0436283 0.003331 -223333.32 0.076349525 229209
+ 2180000 240 0.0436283 0.0034261714 -229264.12 0.07853094 229209
+ 2185000 240 0.0436283 0.0035213428 -235202.38 0.080712355 229209
+ 2190000 240 0.0436283 0.0036165143 -241151.57 0.08289377 229209
+ 2195000 240 0.0436283 0.0037116857 -247111.35 0.085075185 229209
+ 2200000 240 0.0436283 0.0038068571 -253079.35 0.0872566 229209
+ 2205000 240 0.0436283 0.0039020285 -259056.77 0.089438015 229209
+ 2210000 240 0.0436283 0.0039972 -265042.71 0.09161943 229209
+ 2215000 240 0.0436283 0.0040923714 -271033.42 0.093800845 229209
+ 2220000 240 0.0436283 0.0041875428 -277034.86 0.09598226 229209
+ 2225000 240 0.0436283 0.0042827143 -283048.75 0.098163675 229209
+ 2229209 240 0.0436283 0.0043628296 -288119.24 0.09999999 229209
+Loop time of 6.21328 on 1 procs for 229209 steps with 240 atoms
+
+99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 4.8326 | 4.8326 | 4.8326 | 0.0 | 77.78
+Neigh | 0.00080776 | 0.00080776 | 0.00080776 | 0.0 | 0.01
+Comm | 0.54175 | 0.54175 | 0.54175 | 0.0 | 8.72
+Output | 0.0071316 | 0.0071316 | 0.0071316 | 0.0 | 0.11
+Modify | 0.61068 | 0.61068 | 0.61068 | 0.0 | 9.83
+Other | | 0.2203 | | | 3.55
+
+Nlocal: 240.000 ave 240 max 240 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost: 111.000 ave 111 max 111 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs: 707.000 ave 707 max 707 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 707
+Ave neighs/atom = 2.9458333
+Neighbor list builds = 17
+Dangerous builds = 0
+
+write_data box_sheared.data
+System init for write_data ...
+
+Total wall time: 0:00:06
diff --git a/DATASET/P=20000Pa/1_generate_conf_20000Pa.in b/DATASET/P=20000Pa/1_generate_conf_20000Pa.in
new file mode 100644
index 0000000..8621570
--- /dev/null
+++ b/DATASET/P=20000Pa/1_generate_conf_20000Pa.in
@@ -0,0 +1,265 @@
+atom_style sphere
+atom_modify map array
+dimension 2
+boundary p p p
+newton off
+comm_modify vel yes
+units si
+
+region reg block 0.0 0.1 0 0.1 -0.0005 0.0005 units box
+variable confinement_pressure equal 20000
+
+# How many grain/atom types
+create_box 6 reg
+
+# Size of bins for more efficiently searching for grain contacts.
+neighbor 0.001 bin
+
+# Reconstruct the neighbor list without any delay, every time-step
+neigh_modify delay 0
+
+# Glass marbles, tangential force
+pair_style gran/hertz/history 36630036630.0 0.0 0.2 NULL 0.0 0
+
+pair_coeff * *
+
+timestep 1e-8
+
+fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
+
+# Particle insertion in regions
+
+region region_gouge_1 block 0.00 0.1 0.0000 0.0025 -0.0005 0.0005 units box
+region region_gouge_2 block 0.00 0.1 0.0025 0.0050 -0.0005 0.0005 units box
+region region_gouge_3 block 0.00 0.1 0.0050 0.0075 -0.0005 0.0005 units box
+region region_gouge_4 block 0.00 0.1 0.0075 0.0100 -0.0005 0.0005 units box
+region region_gouge_5 block 0.00 0.1 0.0100 0.0125 -0.0005 0.0005 units box
+region region_gouge_6 block 0.00 0.1 0.0125 0.0150 -0.0005 0.0005 units box
+region region_gouge_7 block 0.00 0.1 0.0150 0.0175 -0.0005 0.0005 units box
+region region_gouge_8 block 0.00 0.1 0.0175 0.0200 -0.0005 0.0005 units box
+region region_gouge_9 block 0.00 0.1 0.0200 0.0225 -0.0005 0.0005 units box
+region region_gouge_10 block 0.00 0.1 0.0225 0.0250 -0.0005 0.0005 units box
+region region_gouge_11 block 0.00 0.1 0.0250 0.0275 -0.0005 0.0005 units box
+region region_gouge_12 block 0.00 0.1 0.0275 0.0300 -0.0005 0.0005 units box
+region region_gouge_13 block 0.00 0.1 0.0300 0.0325 -0.0005 0.0005 units box
+region region_gouge_14 block 0.00 0.1 0.0325 0.0350 -0.0005 0.0005 units box
+region region_gouge_15 block 0.00 0.1 0.0350 0.0375 -0.0005 0.0005 units box
+region region_gouge_16 block 0.00 0.1 0.0375 0.0400 -0.0005 0.0005 units box
+region region_gouge_17 block 0.00 0.1 0.0400 0.0425 -0.0005 0.0005 units box
+region region_gouge_18 block 0.00 0.1 0.0425 0.0450 -0.0005 0.0005 units box
+region region_gouge_19 block 0.00 0.1 0.0450 0.0475 -0.0005 0.0005 units box
+region region_gouge_20 block 0.00 0.1 0.0475 0.0500 -0.0005 0.0005 units box
+region region_gouge_21 block 0.00 0.1 0.0500 0.0525 -0.0005 0.0005 units box
+region region_gouge_22 block 0.00 0.1 0.0525 0.0550 -0.0005 0.0005 units box
+region region_gouge_23 block 0.00 0.1 0.0550 0.0575 -0.0005 0.0005 units box
+region region_gouge_24 block 0.00 0.1 0.0575 0.0600 -0.0005 0.0005 units box
+region region_gouge_25 block 0.00 0.1 0.0600 0.0625 -0.0005 0.0005 units box
+region region_gouge_26 block 0.00 0.1 0.0625 0.0650 -0.0005 0.0005 units box
+region region_gouge_27 block 0.00 0.1 0.0650 0.0675 -0.0005 0.0005 units box
+region region_gouge_28 block 0.00 0.1 0.0675 0.0700 -0.0005 0.0005 units box
+region region_gouge_29 block 0.00 0.1 0.0700 0.0725 -0.0005 0.0005 units box
+region region_gouge_30 block 0.00 0.1 0.0725 0.0750 -0.0005 0.0005 units box
+region region_gouge_31 block 0.00 0.1 0.0750 0.0775 -0.0005 0.0005 units box
+region region_gouge_32 block 0.00 0.1 0.0775 0.0800 -0.0005 0.0005 units box
+region region_gouge_33 block 0.00 0.1 0.0800 0.0825 -0.0005 0.0005 units box
+region region_gouge_34 block 0.00 0.1 0.0825 0.0850 -0.0005 0.0005 units box
+region region_gouge_35 block 0.00 0.1 0.0850 0.0875 -0.0005 0.0005 units box
+region region_gouge_36 block 0.00 0.1 0.0875 0.0900 -0.0005 0.0005 units box
+region region_gouge_37 block 0.00 0.1 0.0900 0.0925 -0.0005 0.0005 units box
+region region_gouge_38 block 0.00 0.1 0.0925 0.0950 -0.0005 0.0005 units box
+region region_gouge_39 block 0.00 0.1 0.0950 0.0975 -0.0005 0.0005 units box
+region region_gouge_40 block 0.00 0.1 0.0975 0.1000 -0.0005 0.0005 units box
+
+group nve_group region region_gouge_1
+group nve_group region region_gouge_2
+group nve_group region region_gouge_3
+group nve_group region region_gouge_4
+group nve_group region region_gouge_5
+group nve_group region region_gouge_6
+group nve_group region region_gouge_7
+group nve_group region region_gouge_8
+group nve_group region region_gouge_9
+group nve_group region region_gouge_10
+group nve_group region region_gouge_11
+group nve_group region region_gouge_12
+group nve_group region region_gouge_13
+group nve_group region region_gouge_14
+group nve_group region region_gouge_15
+group nve_group region region_gouge_16
+group nve_group region region_gouge_17
+group nve_group region region_gouge_18
+group nve_group region region_gouge_19
+group nve_group region region_gouge_20
+group nve_group region region_gouge_21
+group nve_group region region_gouge_22
+group nve_group region region_gouge_23
+group nve_group region region_gouge_24
+group nve_group region region_gouge_25
+group nve_group region region_gouge_26
+group nve_group region region_gouge_27
+group nve_group region region_gouge_28
+group nve_group region region_gouge_29
+group nve_group region region_gouge_30
+group nve_group region region_gouge_31
+group nve_group region region_gouge_32
+group nve_group region region_gouge_33
+group nve_group region region_gouge_34
+group nve_group region region_gouge_35
+group nve_group region region_gouge_36
+group nve_group region region_gouge_37
+group nve_group region region_gouge_38
+group nve_group region region_gouge_39
+group nve_group region region_gouge_40
+
+fix ins_1 nve_group pour 50000 1 59 region region_gouge_1 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_2 nve_group pour 50000 1 511 region region_gouge_2 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_3 nve_group pour 50000 1 682 region region_gouge_3 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_4 nve_group pour 50000 1 476 region region_gouge_4 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_5 nve_group pour 50000 1 700 region region_gouge_5 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_6 nve_group pour 50000 1 976 region region_gouge_6 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_7 nve_group pour 50000 1 783 region region_gouge_7 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_8 nve_group pour 50000 1 190 region region_gouge_8 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_9 nve_group pour 50000 1 958 region region_gouge_9 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_10 nve_group pour 50000 1 687 region region_gouge_10 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_11 nve_group pour 50000 1 958 region region_gouge_11 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_12 nve_group pour 50000 1 563 region region_gouge_12 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_13 nve_group pour 50000 1 876 region region_gouge_13 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_14 nve_group pour 50000 1 567 region region_gouge_14 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_15 nve_group pour 50000 1 244 region region_gouge_15 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_16 nve_group pour 50000 1 832 region region_gouge_16 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_17 nve_group pour 50000 1 505 region region_gouge_17 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_18 nve_group pour 50000 1 131 region region_gouge_18 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_19 nve_group pour 50000 1 485 region region_gouge_19 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_20 nve_group pour 50000 1 819 region region_gouge_20 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_21 nve_group pour 50000 1 647 region region_gouge_21 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_22 nve_group pour 50000 1 21 region region_gouge_22 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_23 nve_group pour 50000 1 841 region region_gouge_23 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_24 nve_group pour 50000 1 167 region region_gouge_24 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_25 nve_group pour 50000 1 274 region region_gouge_25 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_26 nve_group pour 50000 1 388 region region_gouge_26 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_27 nve_group pour 50000 1 601 region region_gouge_27 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_28 nve_group pour 50000 1 316 region region_gouge_28 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_29 nve_group pour 50000 1 14 region region_gouge_29 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_30 nve_group pour 50000 1 242 region region_gouge_30 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_31 nve_group pour 50000 1 777 region region_gouge_31 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_32 nve_group pour 50000 1 346 region region_gouge_32 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_33 nve_group pour 50000 1 565 region region_gouge_33 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_34 nve_group pour 50000 1 898 region region_gouge_34 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_35 nve_group pour 50000 1 340 region region_gouge_35 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_36 nve_group pour 50000 1 92 region region_gouge_36 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_37 nve_group pour 50000 1 367 region region_gouge_37 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_38 nve_group pour 50000 1 956 region region_gouge_38 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_39 nve_group pour 50000 1 455 region region_gouge_39 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_40 nve_group pour 50000 1 428 region region_gouge_40 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+
+run 1
+
+set group nve_group density/disc 2.5
+fix integr nve_group nve/sphere disc
+fix makeit2d all enforce2d
+
+thermo 1
+thermo_modify lost ignore norm no
+
+# Unfix particle insertion
+
+unfix ins_1
+unfix ins_2
+unfix ins_3
+unfix ins_4
+unfix ins_5
+unfix ins_6
+unfix ins_7
+unfix ins_8
+unfix ins_9
+unfix ins_10
+unfix ins_11
+unfix ins_12
+unfix ins_13
+unfix ins_14
+unfix ins_15
+unfix ins_16
+unfix ins_17
+unfix ins_18
+unfix ins_19
+unfix ins_20
+unfix ins_21
+unfix ins_22
+unfix ins_23
+unfix ins_24
+unfix ins_25
+unfix ins_26
+unfix ins_27
+unfix ins_28
+unfix ins_29
+unfix ins_30
+unfix ins_31
+unfix ins_32
+unfix ins_33
+unfix ins_34
+unfix ins_35
+unfix ins_36
+unfix ins_37
+unfix ins_38
+unfix ins_39
+unfix ins_40
+
+run 100 upto
+
+# Set gouge layer grain density
+set group all density/disc 2.5
+
+# Apply NVE integration to all particles
+fix integr all nve/sphere disc
+
+# Output settings
+compute 1 all erotate/sphere
+compute 2 all contact/atom
+compute 3 all ke
+
+variable Sxx equal pxx
+variable Syy equal pyy
+variable TotalPressure equal (v_Sxx+v_Syy)/2.0
+
+thermo_style custom step atoms ke pxx pyy v_TotalPressure ly
+thermo 50000
+thermo_modify lost ignore norm no
+
+set group all density/disc 2.5
+
+# Stop the confining pressure once the pressure is superior to the desired pressure
+fix condition all halt 1 v_Syy > ${confinement_pressure} error continue
+fix def all deform 1 x erate -50 y erate -50 z erate 0
+
+run 1500000
+unfix def
+unfix condition
+
+run 10000
+
+# Check if the pressure does not decrease
+label loopa
+variable a loop 1000
+ label loopb
+ variable P equal pyy
+ variable b loop 1000
+ if "${P} > ${confinement_pressure}" then "jump SELF break"
+ fix def all deform 1 x erate -10 y erate -10 z erate 0
+ run 1000
+ unfix def
+ run 10000
+ next b
+ jump SELF loopb
+ label break
+ variable b delete
+if "${P} > ${confinement_pressure}" then "jump SELF break2"
+next a
+jump SELF loopa
+label break2
+print "Over"
+
+restart 1000000 confined.restart confined2.restart
+
+run 1000000
+
+write_data box_confined.data
\ No newline at end of file
diff --git a/DATASET/P=20000Pa/2_shear.in b/DATASET/P=20000Pa/2_shear.in
new file mode 100644
index 0000000..1547629
--- /dev/null
+++ b/DATASET/P=20000Pa/2_shear.in
@@ -0,0 +1,36 @@
+read_restart confined.restart
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+
+fix 2 all deform 1 xy erate ${rate}
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+
+write_data box_sheared.data
+
diff --git a/DATASET/P=20000Pa/StrainStress.txt b/DATASET/P=20000Pa/StrainStress.txt
new file mode 100644
index 0000000..fbb2b1b
--- /dev/null
+++ b/DATASET/P=20000Pa/StrainStress.txt
@@ -0,0 +1,1000 @@
+# Fix print output for fix output_file
+9.91897185847209e-05 975.30402322844008722
+0.000199281161883955 894.10689895936036464
+0.000299372605183035 812.91084872143187567
+0.000399464048482269 731.7009076616971015
+0.000499555491781348 650.50766459889177895
+0.000599646935080428 569.31521857786776764
+0.000699738378379662 488.08264600254278776
+0.000799829821678742 406.82452157554871519
+0.000899921264977976 325.54842250746310128
+0.00100001270827706 244.25165333889771091
+0.00110010415157629 162.94475299340018637
+0.00120019559487537 81.635799984674989105
+0.0013002870381746 0.33092182309394307937
+0.00140037848147368 -80.976435068723915833
+0.00150046992477292 -162.27340930911876171
+0.001600561368072 -243.5476542243195297
+0.00170065281137108 -324.78160036789012111
+0.00180074425467031 -406.00404091360809389
+0.00190083569796939 -487.20555751638869424
+0.00200092714126862 -568.35668369557129154
+0.0021010185845677 -649.43828953929062209
+0.00220111002786694 -730.4379421729539672
+0.00230120147116602 -811.37861592997296611
+0.00240129291446525 -892.30465569701891582
+0.00250138435776433 -973.25887528476425814
+0.00260147580106357 -1054.2586043785527181
+0.00270156724436265 -1135.2869820374755818
+0.00280165868766188 -1216.3530146721766414
+0.00290175013096096 -1297.4477830291480132
+0.00300184157426004 -1378.5648846684073305
+0.00310193301755927 -1459.7121143339661558
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diff --git a/DATASET/P=20000Pa/box_confined.data b/DATASET/P=20000Pa/box_confined.data
new file mode 100644
index 0000000..b3552c5
--- /dev/null
+++ b/DATASET/P=20000Pa/box_confined.data
@@ -0,0 +1,494 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2457485
+
+240 atoms
+6 atom types
+
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+0.027456882139830992 0.07254311786016901 ylo yhi
+-0.0005 0.0005 zlo zhi
+
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+240 5.103389396574093 -0.31609505905802077 0 0 0 0
+239 7.2868114335623275 -10.607998764059436 0 0 0 0
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+229 18.914916834163023 -0.938154191116634 0 0 0 0
+232 18.665872826506575 7.2247602356535685 0 0 0 0
+6 -11.374192917951198 19.492979109287777 0 0 0 0
+216 17.938548213165706 5.466829807436779 0 0 0 0
+234 10.022424028949002 -17.25720626274176 0 0 0 0
+236 21.68277103415311 23.616730275939883 0 0 0 0
+228 -4.1392980086813305 14.64479568195994 0 0 0 0
+12 -6.983924819011417 0.19384377194573194 0 0 0 0
diff --git a/DATASET/P=20000Pa/box_sheared.data b/DATASET/P=20000Pa/box_sheared.data
new file mode 100644
index 0000000..5aaf96a
--- /dev/null
+++ b/DATASET/P=20000Pa/box_sheared.data
@@ -0,0 +1,495 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2221797
+
+240 atoms
+6 atom types
+
+0.027456882139830992 0.07254311786016901 xlo xhi
+0.027456882139830992 0.07254311786016901 ylo yhi
+-0.0005 0.0005 zlo zhi
+0.004508619885811936 0 0 xy xz yz
+
+Atoms # sphere
+
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diff --git a/DATASET/P=20000Pa/confined.restart b/DATASET/P=20000Pa/confined.restart
new file mode 100644
index 0000000..7003215
Binary files /dev/null and b/DATASET/P=20000Pa/confined.restart differ
diff --git a/DATASET/P=20000Pa/log.lammps b/DATASET/P=20000Pa/log.lammps
new file mode 100644
index 0000000..065ed78
--- /dev/null
+++ b/DATASET/P=20000Pa/log.lammps
@@ -0,0 +1,148 @@
+LAMMPS (29 Sep 2021 - Update 3)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
+ using 1 OpenMP thread(s) per MPI task
+read_restart confined.restart
+Reading restart file ...
+ restart file = 29 Sep 2021, LAMMPS = 29 Sep 2021
+ restoring atom style sphere from restart
+ orthogonal box = (0.027456882 0.027456882 -0.00050000000) to (0.072543118 0.072543118 0.00050000000)
+ 1 by 1 by 1 MPI processor grid
+ restoring pair style gran/hertz/history from restart
+ 240 atoms
+ read_restart CPU = 0.004 seconds
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable nb_step equal 221797
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+variable print_freq equal 222
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+Changing box ...
+ triclinic box = (0.027456882 0.027456882 -0.00050000000) to (0.072543118 0.072543118 0.00050000000) with tilt (0.0000000 0.0000000 0.0000000)
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+timestep 0.01
+
+fix 2 all deform 1 xy erate ${rate}
+fix 2 all deform 1 xy erate 4.5086235720338e-05
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+fix output_file all print 222 "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+run 221797
+Resetting global fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+Resetting peratom fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+All restart file global fix info was re-assigned
+All restart file peratom fix info was re-assigned
+Neighbor list info ...
+ update every 1 steps, delay 10 steps, check yes
+ max neighbors/atom: 2000, page size: 100000
+ master list distance cutoff = 0.0045
+ ghost atom cutoff = 0.0045
+ binsize = 0.00225, bins = 21 21 1
+ 1 neighbor lists, perpetual/occasional/extra = 1 0 0
+ (1) pair gran/hertz/history, perpetual
+ attributes: half, newton on, size, history
+ pair build: half/size/bin/newton/tri
+ stencil: half/bin/2d/tri
+ bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.981 | 9.981 | 9.981 Mbytes
+Step Atoms Lx Xy Pxy v_eps v_nb_step
+ 2000000 240 0.045086236 0 1055.4357 0 221797
+ 2005000 240 0.045086236 0.00010163843 -773.47124 0.0022543118 221797
+ 2010000 240 0.045086236 0.00020327687 -2603.4085 0.0045086236 221797
+ 2015000 240 0.045086236 0.0003049153 -4445.2175 0.0067629354 221797
+ 2020000 240 0.045086236 0.00040655373 -6291.0899 0.0090172471 221797
+ 2025000 240 0.045086236 0.00050819216 -8141.2937 0.011271559 221797
+ 2030000 240 0.045086236 0.0006098306 -10005.06 0.013525871 221797
+ 2035000 240 0.045086236 0.00071146903 -11894.899 0.015780183 221797
+ 2040000 240 0.045086236 0.00081310746 -13807.52 0.018034494 221797
+ 2045000 240 0.045086236 0.00091474589 -15761.982 0.020288806 221797
+ 2050000 240 0.045086236 0.0010163843 -17743.412 0.022543118 221797
+ 2055000 240 0.045086236 0.0011180228 -19768.229 0.02479743 221797
+ 2060000 240 0.045086236 0.0012196612 -21838.385 0.027051741 221797
+ 2065000 240 0.045086236 0.0013212996 -23956.595 0.029306053 221797
+ 2070000 240 0.045086236 0.0014229381 -26123.665 0.031560365 221797
+ 2075000 240 0.045086236 0.0015245765 -28360.05 0.033814677 221797
+ 2080000 240 0.045086236 0.0016262149 -30666.528 0.036068989 221797
+ 2085000 240 0.045086236 0.0017278534 -33036.591 0.0383233 221797
+ 2090000 240 0.045086236 0.0018294918 -35479.493 0.040577612 221797
+ 2095000 240 0.045086236 0.0019311302 -37990.586 0.042831924 221797
+ 2100000 240 0.045086236 0.0020327687 -40569.786 0.045086236 221797
+ 2105000 240 0.045086236 0.0021344071 -43209.587 0.047340548 221797
+ 2110000 240 0.045086236 0.0022360455 -45905.594 0.049594859 221797
+ 2115000 240 0.045086236 0.0023376839 -48665.914 0.051849171 221797
+ 2120000 240 0.045086236 0.0024393224 -51488.458 0.054103483 221797
+ 2125000 240 0.045086236 0.0025409608 -54368.361 0.056357795 221797
+ 2130000 240 0.045086236 0.0026425992 -57309.356 0.058612106 221797
+ 2135000 240 0.045086236 0.0027442377 -60321.833 0.060866418 221797
+ 2140000 240 0.045086236 0.0028458761 -63403.328 0.06312073 221797
+ 2145000 240 0.045086236 0.0029475145 -66556.471 0.065375042 221797
+ 2150000 240 0.045086236 0.003049153 -69782.354 0.067629354 221797
+ 2155000 240 0.045086236 0.0031507914 -73079.28 0.069883665 221797
+ 2160000 240 0.045086236 0.0032524298 -76449.382 0.072137977 221797
+ 2165000 240 0.045086236 0.0033540683 -79887.188 0.074392289 221797
+ 2170000 240 0.045086236 0.0034557067 -83386.662 0.076646601 221797
+ 2175000 240 0.045086236 0.0035573451 -86943.547 0.078900913 221797
+ 2180000 240 0.045086236 0.0036589836 -90554.687 0.081155224 221797
+ 2185000 240 0.045086236 0.003760622 -94217.26 0.083409536 221797
+ 2190000 240 0.045086236 0.0038622604 -97935.055 0.085663848 221797
+ 2195000 240 0.045086236 0.0039638989 -101706.93 0.08791816 221797
+ 2200000 240 0.045086236 0.0040655373 -105528.1 0.090172471 221797
+ 2205000 240 0.045086236 0.0041671757 -109401.34 0.092426783 221797
+ 2210000 240 0.045086236 0.0042688142 -113326.58 0.094681095 221797
+ 2215000 240 0.045086236 0.0043704526 -117300.72 0.096935407 221797
+ 2220000 240 0.045086236 0.004472091 -121324.29 0.099189719 221797
+ 2221797 240 0.045086236 0.0045086199 -122781.72 0.099999918 221797
+Loop time of 3.69583 on 1 procs for 221797 steps with 240 atoms
+
+100.2% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 2.4074 | 2.4074 | 2.4074 | 0.0 | 65.14
+Neigh | 0.00076079 | 0.00076079 | 0.00076079 | 0.0 | 0.02
+Comm | 0.4953 | 0.4953 | 0.4953 | 0.0 | 13.40
+Output | 0.0072515 | 0.0072515 | 0.0072515 | 0.0 | 0.20
+Modify | 0.57608 | 0.57608 | 0.57608 | 0.0 | 15.59
+Other | | 0.2091 | | | 5.66
+
+Nlocal: 240.000 ave 240 max 240 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost: 107.000 ave 107 max 107 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs: 695.000 ave 695 max 695 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 695
+Ave neighs/atom = 2.8958333
+Neighbor list builds = 17
+Dangerous builds = 0
+
+write_data box_sheared.data
+System init for write_data ...
+
+Total wall time: 0:00:03
diff --git a/DATASET/P=30000Pa/1_generate_conf_30000Pa.in b/DATASET/P=30000Pa/1_generate_conf_30000Pa.in
new file mode 100644
index 0000000..77e4eb6
--- /dev/null
+++ b/DATASET/P=30000Pa/1_generate_conf_30000Pa.in
@@ -0,0 +1,265 @@
+atom_style sphere
+atom_modify map array
+dimension 2
+boundary p p p
+newton off
+comm_modify vel yes
+units si
+
+region reg block 0.0 0.1 0 0.1 -0.0005 0.0005 units box
+variable confinement_pressure equal 30000
+
+# How many grain/atom types
+create_box 6 reg
+
+# Size of bins for more efficiently searching for grain contacts.
+neighbor 0.001 bin
+
+# Reconstruct the neighbor list without any delay, every time-step
+neigh_modify delay 0
+
+# Glass marbles, tangential force
+pair_style gran/hertz/history 36630036630.0 0.0 0.2 NULL 0.0 0
+
+pair_coeff * *
+
+timestep 1e-8
+
+fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
+
+# Particle insertion in regions
+
+region region_gouge_1 block 0.00 0.1 0.0000 0.0025 -0.0005 0.0005 units box
+region region_gouge_2 block 0.00 0.1 0.0025 0.0050 -0.0005 0.0005 units box
+region region_gouge_3 block 0.00 0.1 0.0050 0.0075 -0.0005 0.0005 units box
+region region_gouge_4 block 0.00 0.1 0.0075 0.0100 -0.0005 0.0005 units box
+region region_gouge_5 block 0.00 0.1 0.0100 0.0125 -0.0005 0.0005 units box
+region region_gouge_6 block 0.00 0.1 0.0125 0.0150 -0.0005 0.0005 units box
+region region_gouge_7 block 0.00 0.1 0.0150 0.0175 -0.0005 0.0005 units box
+region region_gouge_8 block 0.00 0.1 0.0175 0.0200 -0.0005 0.0005 units box
+region region_gouge_9 block 0.00 0.1 0.0200 0.0225 -0.0005 0.0005 units box
+region region_gouge_10 block 0.00 0.1 0.0225 0.0250 -0.0005 0.0005 units box
+region region_gouge_11 block 0.00 0.1 0.0250 0.0275 -0.0005 0.0005 units box
+region region_gouge_12 block 0.00 0.1 0.0275 0.0300 -0.0005 0.0005 units box
+region region_gouge_13 block 0.00 0.1 0.0300 0.0325 -0.0005 0.0005 units box
+region region_gouge_14 block 0.00 0.1 0.0325 0.0350 -0.0005 0.0005 units box
+region region_gouge_15 block 0.00 0.1 0.0350 0.0375 -0.0005 0.0005 units box
+region region_gouge_16 block 0.00 0.1 0.0375 0.0400 -0.0005 0.0005 units box
+region region_gouge_17 block 0.00 0.1 0.0400 0.0425 -0.0005 0.0005 units box
+region region_gouge_18 block 0.00 0.1 0.0425 0.0450 -0.0005 0.0005 units box
+region region_gouge_19 block 0.00 0.1 0.0450 0.0475 -0.0005 0.0005 units box
+region region_gouge_20 block 0.00 0.1 0.0475 0.0500 -0.0005 0.0005 units box
+region region_gouge_21 block 0.00 0.1 0.0500 0.0525 -0.0005 0.0005 units box
+region region_gouge_22 block 0.00 0.1 0.0525 0.0550 -0.0005 0.0005 units box
+region region_gouge_23 block 0.00 0.1 0.0550 0.0575 -0.0005 0.0005 units box
+region region_gouge_24 block 0.00 0.1 0.0575 0.0600 -0.0005 0.0005 units box
+region region_gouge_25 block 0.00 0.1 0.0600 0.0625 -0.0005 0.0005 units box
+region region_gouge_26 block 0.00 0.1 0.0625 0.0650 -0.0005 0.0005 units box
+region region_gouge_27 block 0.00 0.1 0.0650 0.0675 -0.0005 0.0005 units box
+region region_gouge_28 block 0.00 0.1 0.0675 0.0700 -0.0005 0.0005 units box
+region region_gouge_29 block 0.00 0.1 0.0700 0.0725 -0.0005 0.0005 units box
+region region_gouge_30 block 0.00 0.1 0.0725 0.0750 -0.0005 0.0005 units box
+region region_gouge_31 block 0.00 0.1 0.0750 0.0775 -0.0005 0.0005 units box
+region region_gouge_32 block 0.00 0.1 0.0775 0.0800 -0.0005 0.0005 units box
+region region_gouge_33 block 0.00 0.1 0.0800 0.0825 -0.0005 0.0005 units box
+region region_gouge_34 block 0.00 0.1 0.0825 0.0850 -0.0005 0.0005 units box
+region region_gouge_35 block 0.00 0.1 0.0850 0.0875 -0.0005 0.0005 units box
+region region_gouge_36 block 0.00 0.1 0.0875 0.0900 -0.0005 0.0005 units box
+region region_gouge_37 block 0.00 0.1 0.0900 0.0925 -0.0005 0.0005 units box
+region region_gouge_38 block 0.00 0.1 0.0925 0.0950 -0.0005 0.0005 units box
+region region_gouge_39 block 0.00 0.1 0.0950 0.0975 -0.0005 0.0005 units box
+region region_gouge_40 block 0.00 0.1 0.0975 0.1000 -0.0005 0.0005 units box
+
+group nve_group region region_gouge_1
+group nve_group region region_gouge_2
+group nve_group region region_gouge_3
+group nve_group region region_gouge_4
+group nve_group region region_gouge_5
+group nve_group region region_gouge_6
+group nve_group region region_gouge_7
+group nve_group region region_gouge_8
+group nve_group region region_gouge_9
+group nve_group region region_gouge_10
+group nve_group region region_gouge_11
+group nve_group region region_gouge_12
+group nve_group region region_gouge_13
+group nve_group region region_gouge_14
+group nve_group region region_gouge_15
+group nve_group region region_gouge_16
+group nve_group region region_gouge_17
+group nve_group region region_gouge_18
+group nve_group region region_gouge_19
+group nve_group region region_gouge_20
+group nve_group region region_gouge_21
+group nve_group region region_gouge_22
+group nve_group region region_gouge_23
+group nve_group region region_gouge_24
+group nve_group region region_gouge_25
+group nve_group region region_gouge_26
+group nve_group region region_gouge_27
+group nve_group region region_gouge_28
+group nve_group region region_gouge_29
+group nve_group region region_gouge_30
+group nve_group region region_gouge_31
+group nve_group region region_gouge_32
+group nve_group region region_gouge_33
+group nve_group region region_gouge_34
+group nve_group region region_gouge_35
+group nve_group region region_gouge_36
+group nve_group region region_gouge_37
+group nve_group region region_gouge_38
+group nve_group region region_gouge_39
+group nve_group region region_gouge_40
+
+fix ins_1 nve_group pour 50000 1 509 region region_gouge_1 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_2 nve_group pour 50000 1 776 region region_gouge_2 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_3 nve_group pour 50000 1 943 region region_gouge_3 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_4 nve_group pour 50000 1 35 region region_gouge_4 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_5 nve_group pour 50000 1 206 region region_gouge_5 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_6 nve_group pour 50000 1 81 region region_gouge_6 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_7 nve_group pour 50000 1 932 region region_gouge_7 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_8 nve_group pour 50000 1 562 region region_gouge_8 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_9 nve_group pour 50000 1 872 region region_gouge_9 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_10 nve_group pour 50000 1 388 region region_gouge_10 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_11 nve_group pour 50000 1 2 region region_gouge_11 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_12 nve_group pour 50000 1 390 region region_gouge_12 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_13 nve_group pour 50000 1 566 region region_gouge_13 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_14 nve_group pour 50000 1 106 region region_gouge_14 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_15 nve_group pour 50000 1 772 region region_gouge_15 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_16 nve_group pour 50000 1 822 region region_gouge_16 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_17 nve_group pour 50000 1 477 region region_gouge_17 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_18 nve_group pour 50000 1 703 region region_gouge_18 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_19 nve_group pour 50000 1 402 region region_gouge_19 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_20 nve_group pour 50000 1 730 region region_gouge_20 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_21 nve_group pour 50000 1 556 region region_gouge_21 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_22 nve_group pour 50000 1 162 region region_gouge_22 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_23 nve_group pour 50000 1 202 region region_gouge_23 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_24 nve_group pour 50000 1 958 region region_gouge_24 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_25 nve_group pour 50000 1 996 region region_gouge_25 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_26 nve_group pour 50000 1 270 region region_gouge_26 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_27 nve_group pour 50000 1 863 region region_gouge_27 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_28 nve_group pour 50000 1 816 region region_gouge_28 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_29 nve_group pour 50000 1 271 region region_gouge_29 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_30 nve_group pour 50000 1 456 region region_gouge_30 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_31 nve_group pour 50000 1 462 region region_gouge_31 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_32 nve_group pour 50000 1 727 region region_gouge_32 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_33 nve_group pour 50000 1 252 region region_gouge_33 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_34 nve_group pour 50000 1 702 region region_gouge_34 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_35 nve_group pour 50000 1 296 region region_gouge_35 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_36 nve_group pour 50000 1 725 region region_gouge_36 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_37 nve_group pour 50000 1 720 region region_gouge_37 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_38 nve_group pour 50000 1 749 region region_gouge_38 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_39 nve_group pour 50000 1 338 region region_gouge_39 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_40 nve_group pour 50000 1 879 region region_gouge_40 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+
+run 1
+
+set group nve_group density/disc 2.5
+fix integr nve_group nve/sphere disc
+fix makeit2d all enforce2d
+
+thermo 1
+thermo_modify lost ignore norm no
+
+# Unfix particle insertion
+
+unfix ins_1
+unfix ins_2
+unfix ins_3
+unfix ins_4
+unfix ins_5
+unfix ins_6
+unfix ins_7
+unfix ins_8
+unfix ins_9
+unfix ins_10
+unfix ins_11
+unfix ins_12
+unfix ins_13
+unfix ins_14
+unfix ins_15
+unfix ins_16
+unfix ins_17
+unfix ins_18
+unfix ins_19
+unfix ins_20
+unfix ins_21
+unfix ins_22
+unfix ins_23
+unfix ins_24
+unfix ins_25
+unfix ins_26
+unfix ins_27
+unfix ins_28
+unfix ins_29
+unfix ins_30
+unfix ins_31
+unfix ins_32
+unfix ins_33
+unfix ins_34
+unfix ins_35
+unfix ins_36
+unfix ins_37
+unfix ins_38
+unfix ins_39
+unfix ins_40
+
+run 100 upto
+
+# Set gouge layer grain density
+set group all density/disc 2.5
+
+# Apply NVE integration to all particles
+fix integr all nve/sphere disc
+
+# Output settings
+compute 1 all erotate/sphere
+compute 2 all contact/atom
+compute 3 all ke
+
+variable Sxx equal pxx
+variable Syy equal pyy
+variable TotalPressure equal (v_Sxx+v_Syy)/2.0
+
+thermo_style custom step atoms ke pxx pyy v_TotalPressure ly
+thermo 50000
+thermo_modify lost ignore norm no
+
+set group all density/disc 2.5
+
+# Stop the confining pressure once the pressure is superior to the desired pressure
+fix condition all halt 1 v_Syy > ${confinement_pressure} error continue
+fix def all deform 1 x erate -50 y erate -50 z erate 0
+
+run 1500000
+unfix def
+unfix condition
+
+run 10000
+
+# Check if the pressure does not decrease
+label loopa
+variable a loop 1000
+ label loopb
+ variable P equal pyy
+ variable b loop 1000
+ if "${P} > ${confinement_pressure}" then "jump SELF break"
+ fix def all deform 1 x erate -10 y erate -10 z erate 0
+ run 1000
+ unfix def
+ run 10000
+ next b
+ jump SELF loopb
+ label break
+ variable b delete
+if "${P} > ${confinement_pressure}" then "jump SELF break2"
+next a
+jump SELF loopa
+label break2
+print "Over"
+
+restart 1000000 confined.restart confined2.restart
+
+run 1000000
+
+write_data box_confined.data
\ No newline at end of file
diff --git a/DATASET/P=30000Pa/2_shear.in b/DATASET/P=30000Pa/2_shear.in
new file mode 100644
index 0000000..1547629
--- /dev/null
+++ b/DATASET/P=30000Pa/2_shear.in
@@ -0,0 +1,36 @@
+read_restart confined.restart
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+
+fix 2 all deform 1 xy erate ${rate}
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+
+write_data box_sheared.data
+
diff --git a/DATASET/P=30000Pa/StrainStress.txt b/DATASET/P=30000Pa/StrainStress.txt
new file mode 100644
index 0000000..788e084
--- /dev/null
+++ b/DATASET/P=30000Pa/StrainStress.txt
@@ -0,0 +1,1003 @@
+# Fix print output for fix output_file
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diff --git a/DATASET/P=30000Pa/box_confined.data b/DATASET/P=30000Pa/box_confined.data
new file mode 100644
index 0000000..7bc41c0
--- /dev/null
+++ b/DATASET/P=30000Pa/box_confined.data
@@ -0,0 +1,494 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2270145
+
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diff --git a/DATASET/P=30000Pa/box_sheared.data b/DATASET/P=30000Pa/box_sheared.data
new file mode 100644
index 0000000..4a0c8a9
--- /dev/null
+++ b/DATASET/P=30000Pa/box_sheared.data
@@ -0,0 +1,495 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2221337
+
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diff --git a/DATASET/P=30000Pa/confined.restart b/DATASET/P=30000Pa/confined.restart
new file mode 100644
index 0000000..58a1b51
Binary files /dev/null and b/DATASET/P=30000Pa/confined.restart differ
diff --git a/DATASET/P=30000Pa/log.lammps b/DATASET/P=30000Pa/log.lammps
new file mode 100644
index 0000000..ea98e47
--- /dev/null
+++ b/DATASET/P=30000Pa/log.lammps
@@ -0,0 +1,148 @@
+LAMMPS (29 Sep 2021 - Update 3)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
+ using 1 OpenMP thread(s) per MPI task
+read_restart confined.restart
+Reading restart file ...
+ restart file = 29 Sep 2021, LAMMPS = 29 Sep 2021
+ restoring atom style sphere from restart
+ orthogonal box = (0.027410037 0.027410037 -0.00050000000) to (0.072589963 0.072589963 0.00050000000)
+ 1 by 1 by 1 MPI processor grid
+ restoring pair style gran/hertz/history from restart
+ 240 atoms
+ read_restart CPU = 0.004 seconds
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable nb_step equal 221337
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+variable print_freq equal 221
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+Changing box ...
+ triclinic box = (0.027410037 0.027410037 -0.00050000000) to (0.072589963 0.072589963 0.00050000000) with tilt (0.0000000 0.0000000 0.0000000)
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+timestep 0.01
+
+fix 2 all deform 1 xy erate ${rate}
+fix 2 all deform 1 xy erate 4.5179925864556e-05
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+fix output_file all print 221 "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+run 221337
+Resetting global fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+Resetting peratom fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+All restart file global fix info was re-assigned
+All restart file peratom fix info was re-assigned
+Neighbor list info ...
+ update every 1 steps, delay 10 steps, check yes
+ max neighbors/atom: 2000, page size: 100000
+ master list distance cutoff = 0.0045
+ ghost atom cutoff = 0.0045
+ binsize = 0.00225, bins = 21 21 1
+ 1 neighbor lists, perpetual/occasional/extra = 1 0 0
+ (1) pair gran/hertz/history, perpetual
+ attributes: half, newton on, size, history
+ pair build: half/size/bin/newton/tri
+ stencil: half/bin/2d/tri
+ bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.981 | 9.981 | 9.981 Mbytes
+Step Atoms Lx Xy Pxy v_eps v_nb_step
+ 2000000 240 0.045179926 0 1843.9256 0 221337
+ 2005000 240 0.045179926 0.00010206129 -137.58832 0.0022589963 221337
+ 2010000 240 0.045179926 0.00020412257 -2090.3906 0.0045179926 221337
+ 2015000 240 0.045179926 0.00030618386 -4009.9307 0.0067769889 221337
+ 2020000 240 0.045179926 0.00040824514 -5923.5931 0.0090359852 221337
+ 2025000 240 0.045179926 0.00051030643 -7839.8341 0.011294981 221337
+ 2030000 240 0.045179926 0.00061236771 -9752.0483 0.013553978 221337
+ 2035000 240 0.045179926 0.000714429 -11649.156 0.015812974 221337
+ 2040000 240 0.045179926 0.00081649028 -13539.255 0.01807197 221337
+ 2045000 240 0.045179926 0.00091855157 -15437.265 0.020330967 221337
+ 2050000 240 0.045179926 0.0010206129 -17348.064 0.022589963 221337
+ 2055000 240 0.045179926 0.0011226741 -19279.883 0.024848959 221337
+ 2060000 240 0.045179926 0.0012247354 -21250.418 0.027107956 221337
+ 2065000 240 0.045179926 0.0013267967 -23276.025 0.029366952 221337
+ 2070000 240 0.045179926 0.001428858 -25352.056 0.031625948 221337
+ 2075000 240 0.045179926 0.0015309193 -27486.899 0.033884944 221337
+ 2080000 240 0.045179926 0.0016329806 -29680.398 0.036143941 221337
+ 2085000 240 0.045179926 0.0017350418 -31933.347 0.038402937 221337
+ 2090000 240 0.045179926 0.0018371031 -34269.18 0.040661933 221337
+ 2095000 240 0.045179926 0.0019391644 -36686.378 0.04292093 221337
+ 2100000 240 0.045179926 0.0020412257 -39169.385 0.045179926 221337
+ 2105000 240 0.045179926 0.002143287 -41730.529 0.047438922 221337
+ 2110000 240 0.045179926 0.0022453483 -44365.14 0.049697918 221337
+ 2115000 240 0.045179926 0.0023474096 -47069.563 0.051956915 221337
+ 2120000 240 0.045179926 0.0024494708 -49840.174 0.054215911 221337
+ 2125000 240 0.045179926 0.0025515321 -52669.715 0.056474907 221337
+ 2130000 240 0.045179926 0.0026535934 -55558.92 0.058733904 221337
+ 2135000 240 0.045179926 0.0027556547 -58515.164 0.0609929 221337
+ 2140000 240 0.045179926 0.002857716 -61532.156 0.063251896 221337
+ 2145000 240 0.045179926 0.0029597773 -64623.311 0.065510893 221337
+ 2150000 240 0.045179926 0.0030618386 -67787.717 0.067769889 221337
+ 2155000 240 0.045179926 0.0031638998 -71018.36 0.070028885 221337
+ 2160000 240 0.045179926 0.0032659611 -74310.25 0.072287881 221337
+ 2165000 240 0.045179926 0.0033680224 -77663.447 0.074546878 221337
+ 2170000 240 0.045179926 0.0034700837 -81074.171 0.076805874 221337
+ 2175000 240 0.045179926 0.003572145 -84541.593 0.07906487 221337
+ 2180000 240 0.045179926 0.0036742063 -88063.025 0.081323867 221337
+ 2185000 240 0.045179926 0.0037762675 -91638.483 0.083582863 221337
+ 2190000 240 0.045179926 0.0038783288 -95264.522 0.085841859 221337
+ 2195000 240 0.045179926 0.0039803901 -98939.697 0.088100855 221337
+ 2200000 240 0.045179926 0.0040824514 -102661.7 0.090359852 221337
+ 2205000 240 0.045179926 0.0041845127 -106429.56 0.092618848 221337
+ 2210000 240 0.045179926 0.004286574 -110246.26 0.094877844 221337
+ 2215000 240 0.045179926 0.0043886353 -114115.91 0.097136841 221337
+ 2220000 240 0.045179926 0.0044906965 -118039.96 0.099395837 221337
+ 2221337 240 0.045179926 0.0045179877 -119097.38 0.099999893 221337
+Loop time of 4.01508 on 1 procs for 221337 steps with 240 atoms
+
+98.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 2.6733 | 2.6733 | 2.6733 | 0.0 | 66.58
+Neigh | 0.00079823 | 0.00079823 | 0.00079823 | 0.0 | 0.02
+Comm | 0.50541 | 0.50541 | 0.50541 | 0.0 | 12.59
+Output | 0.0079048 | 0.0079048 | 0.0079048 | 0.0 | 0.20
+Modify | 0.60775 | 0.60775 | 0.60775 | 0.0 | 15.14
+Other | | 0.22 | | | 5.48
+
+Nlocal: 240.000 ave 240 max 240 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost: 105.000 ave 105 max 105 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs: 694.000 ave 694 max 694 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 694
+Ave neighs/atom = 2.8916667
+Neighbor list builds = 18
+Dangerous builds = 0
+
+write_data box_sheared.data
+System init for write_data ...
+
+Total wall time: 0:00:04
diff --git a/DATASET/P=40000Pa/1_generate_conf_40000Pa.in b/DATASET/P=40000Pa/1_generate_conf_40000Pa.in
new file mode 100644
index 0000000..7b552ab
--- /dev/null
+++ b/DATASET/P=40000Pa/1_generate_conf_40000Pa.in
@@ -0,0 +1,265 @@
+atom_style sphere
+atom_modify map array
+dimension 2
+boundary p p p
+newton off
+comm_modify vel yes
+units si
+
+region reg block 0.0 0.1 0 0.1 -0.0005 0.0005 units box
+variable confinement_pressure equal 40000
+
+# How many grain/atom types
+create_box 6 reg
+
+# Size of bins for more efficiently searching for grain contacts.
+neighbor 0.001 bin
+
+# Reconstruct the neighbor list without any delay, every time-step
+neigh_modify delay 0
+
+# Glass marbles, tangential force
+pair_style gran/hertz/history 36630036630.0 0.0 0.2 NULL 0.0 0
+
+pair_coeff * *
+
+timestep 1e-8
+
+fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
+
+# Particle insertion in regions
+
+region region_gouge_1 block 0.00 0.1 0.0000 0.0025 -0.0005 0.0005 units box
+region region_gouge_2 block 0.00 0.1 0.0025 0.0050 -0.0005 0.0005 units box
+region region_gouge_3 block 0.00 0.1 0.0050 0.0075 -0.0005 0.0005 units box
+region region_gouge_4 block 0.00 0.1 0.0075 0.0100 -0.0005 0.0005 units box
+region region_gouge_5 block 0.00 0.1 0.0100 0.0125 -0.0005 0.0005 units box
+region region_gouge_6 block 0.00 0.1 0.0125 0.0150 -0.0005 0.0005 units box
+region region_gouge_7 block 0.00 0.1 0.0150 0.0175 -0.0005 0.0005 units box
+region region_gouge_8 block 0.00 0.1 0.0175 0.0200 -0.0005 0.0005 units box
+region region_gouge_9 block 0.00 0.1 0.0200 0.0225 -0.0005 0.0005 units box
+region region_gouge_10 block 0.00 0.1 0.0225 0.0250 -0.0005 0.0005 units box
+region region_gouge_11 block 0.00 0.1 0.0250 0.0275 -0.0005 0.0005 units box
+region region_gouge_12 block 0.00 0.1 0.0275 0.0300 -0.0005 0.0005 units box
+region region_gouge_13 block 0.00 0.1 0.0300 0.0325 -0.0005 0.0005 units box
+region region_gouge_14 block 0.00 0.1 0.0325 0.0350 -0.0005 0.0005 units box
+region region_gouge_15 block 0.00 0.1 0.0350 0.0375 -0.0005 0.0005 units box
+region region_gouge_16 block 0.00 0.1 0.0375 0.0400 -0.0005 0.0005 units box
+region region_gouge_17 block 0.00 0.1 0.0400 0.0425 -0.0005 0.0005 units box
+region region_gouge_18 block 0.00 0.1 0.0425 0.0450 -0.0005 0.0005 units box
+region region_gouge_19 block 0.00 0.1 0.0450 0.0475 -0.0005 0.0005 units box
+region region_gouge_20 block 0.00 0.1 0.0475 0.0500 -0.0005 0.0005 units box
+region region_gouge_21 block 0.00 0.1 0.0500 0.0525 -0.0005 0.0005 units box
+region region_gouge_22 block 0.00 0.1 0.0525 0.0550 -0.0005 0.0005 units box
+region region_gouge_23 block 0.00 0.1 0.0550 0.0575 -0.0005 0.0005 units box
+region region_gouge_24 block 0.00 0.1 0.0575 0.0600 -0.0005 0.0005 units box
+region region_gouge_25 block 0.00 0.1 0.0600 0.0625 -0.0005 0.0005 units box
+region region_gouge_26 block 0.00 0.1 0.0625 0.0650 -0.0005 0.0005 units box
+region region_gouge_27 block 0.00 0.1 0.0650 0.0675 -0.0005 0.0005 units box
+region region_gouge_28 block 0.00 0.1 0.0675 0.0700 -0.0005 0.0005 units box
+region region_gouge_29 block 0.00 0.1 0.0700 0.0725 -0.0005 0.0005 units box
+region region_gouge_30 block 0.00 0.1 0.0725 0.0750 -0.0005 0.0005 units box
+region region_gouge_31 block 0.00 0.1 0.0750 0.0775 -0.0005 0.0005 units box
+region region_gouge_32 block 0.00 0.1 0.0775 0.0800 -0.0005 0.0005 units box
+region region_gouge_33 block 0.00 0.1 0.0800 0.0825 -0.0005 0.0005 units box
+region region_gouge_34 block 0.00 0.1 0.0825 0.0850 -0.0005 0.0005 units box
+region region_gouge_35 block 0.00 0.1 0.0850 0.0875 -0.0005 0.0005 units box
+region region_gouge_36 block 0.00 0.1 0.0875 0.0900 -0.0005 0.0005 units box
+region region_gouge_37 block 0.00 0.1 0.0900 0.0925 -0.0005 0.0005 units box
+region region_gouge_38 block 0.00 0.1 0.0925 0.0950 -0.0005 0.0005 units box
+region region_gouge_39 block 0.00 0.1 0.0950 0.0975 -0.0005 0.0005 units box
+region region_gouge_40 block 0.00 0.1 0.0975 0.1000 -0.0005 0.0005 units box
+
+group nve_group region region_gouge_1
+group nve_group region region_gouge_2
+group nve_group region region_gouge_3
+group nve_group region region_gouge_4
+group nve_group region region_gouge_5
+group nve_group region region_gouge_6
+group nve_group region region_gouge_7
+group nve_group region region_gouge_8
+group nve_group region region_gouge_9
+group nve_group region region_gouge_10
+group nve_group region region_gouge_11
+group nve_group region region_gouge_12
+group nve_group region region_gouge_13
+group nve_group region region_gouge_14
+group nve_group region region_gouge_15
+group nve_group region region_gouge_16
+group nve_group region region_gouge_17
+group nve_group region region_gouge_18
+group nve_group region region_gouge_19
+group nve_group region region_gouge_20
+group nve_group region region_gouge_21
+group nve_group region region_gouge_22
+group nve_group region region_gouge_23
+group nve_group region region_gouge_24
+group nve_group region region_gouge_25
+group nve_group region region_gouge_26
+group nve_group region region_gouge_27
+group nve_group region region_gouge_28
+group nve_group region region_gouge_29
+group nve_group region region_gouge_30
+group nve_group region region_gouge_31
+group nve_group region region_gouge_32
+group nve_group region region_gouge_33
+group nve_group region region_gouge_34
+group nve_group region region_gouge_35
+group nve_group region region_gouge_36
+group nve_group region region_gouge_37
+group nve_group region region_gouge_38
+group nve_group region region_gouge_39
+group nve_group region region_gouge_40
+
+fix ins_1 nve_group pour 50000 1 53 region region_gouge_1 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_2 nve_group pour 50000 1 792 region region_gouge_2 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_3 nve_group pour 50000 1 922 region region_gouge_3 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_4 nve_group pour 50000 1 217 region region_gouge_4 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_5 nve_group pour 50000 1 764 region region_gouge_5 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_6 nve_group pour 50000 1 188 region region_gouge_6 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_7 nve_group pour 50000 1 380 region region_gouge_7 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_8 nve_group pour 50000 1 493 region region_gouge_8 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_9 nve_group pour 50000 1 41 region region_gouge_9 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_10 nve_group pour 50000 1 157 region region_gouge_10 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_11 nve_group pour 50000 1 15 region region_gouge_11 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_12 nve_group pour 50000 1 813 region region_gouge_12 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_13 nve_group pour 50000 1 65 region region_gouge_13 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_14 nve_group pour 50000 1 857 region region_gouge_14 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_15 nve_group pour 50000 1 839 region region_gouge_15 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_16 nve_group pour 50000 1 521 region region_gouge_16 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_17 nve_group pour 50000 1 344 region region_gouge_17 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_18 nve_group pour 50000 1 129 region region_gouge_18 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_19 nve_group pour 50000 1 648 region region_gouge_19 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_20 nve_group pour 50000 1 472 region region_gouge_20 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_21 nve_group pour 50000 1 63 region region_gouge_21 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_22 nve_group pour 50000 1 139 region region_gouge_22 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_23 nve_group pour 50000 1 499 region region_gouge_23 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_24 nve_group pour 50000 1 593 region region_gouge_24 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_25 nve_group pour 50000 1 392 region region_gouge_25 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_26 nve_group pour 50000 1 675 region region_gouge_26 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_27 nve_group pour 50000 1 419 region region_gouge_27 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_28 nve_group pour 50000 1 289 region region_gouge_28 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_29 nve_group pour 50000 1 379 region region_gouge_29 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_30 nve_group pour 50000 1 773 region region_gouge_30 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_31 nve_group pour 50000 1 490 region region_gouge_31 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_32 nve_group pour 50000 1 231 region region_gouge_32 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_33 nve_group pour 50000 1 41 region region_gouge_33 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_34 nve_group pour 50000 1 28 region region_gouge_34 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_35 nve_group pour 50000 1 135 region region_gouge_35 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_36 nve_group pour 50000 1 201 region region_gouge_36 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_37 nve_group pour 50000 1 840 region region_gouge_37 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_38 nve_group pour 50000 1 780 region region_gouge_38 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_39 nve_group pour 50000 1 930 region region_gouge_39 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_40 nve_group pour 50000 1 33 region region_gouge_40 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+
+run 1
+
+set group nve_group density/disc 2.5
+fix integr nve_group nve/sphere disc
+fix makeit2d all enforce2d
+
+thermo 1
+thermo_modify lost ignore norm no
+
+# Unfix particle insertion
+
+unfix ins_1
+unfix ins_2
+unfix ins_3
+unfix ins_4
+unfix ins_5
+unfix ins_6
+unfix ins_7
+unfix ins_8
+unfix ins_9
+unfix ins_10
+unfix ins_11
+unfix ins_12
+unfix ins_13
+unfix ins_14
+unfix ins_15
+unfix ins_16
+unfix ins_17
+unfix ins_18
+unfix ins_19
+unfix ins_20
+unfix ins_21
+unfix ins_22
+unfix ins_23
+unfix ins_24
+unfix ins_25
+unfix ins_26
+unfix ins_27
+unfix ins_28
+unfix ins_29
+unfix ins_30
+unfix ins_31
+unfix ins_32
+unfix ins_33
+unfix ins_34
+unfix ins_35
+unfix ins_36
+unfix ins_37
+unfix ins_38
+unfix ins_39
+unfix ins_40
+
+run 100 upto
+
+# Set gouge layer grain density
+set group all density/disc 2.5
+
+# Apply NVE integration to all particles
+fix integr all nve/sphere disc
+
+# Output settings
+compute 1 all erotate/sphere
+compute 2 all contact/atom
+compute 3 all ke
+
+variable Sxx equal pxx
+variable Syy equal pyy
+variable TotalPressure equal (v_Sxx+v_Syy)/2.0
+
+thermo_style custom step atoms ke pxx pyy v_TotalPressure ly
+thermo 50000
+thermo_modify lost ignore norm no
+
+set group all density/disc 2.5
+
+# Stop the confining pressure once the pressure is superior to the desired pressure
+fix condition all halt 1 v_Syy > ${confinement_pressure} error continue
+fix def all deform 1 x erate -50 y erate -50 z erate 0
+
+run 1500000
+unfix def
+unfix condition
+
+run 10000
+
+# Check if the pressure does not decrease
+label loopa
+variable a loop 1000
+ label loopb
+ variable P equal pyy
+ variable b loop 1000
+ if "${P} > ${confinement_pressure}" then "jump SELF break"
+ fix def all deform 1 x erate -10 y erate -10 z erate 0
+ run 1000
+ unfix def
+ run 10000
+ next b
+ jump SELF loopb
+ label break
+ variable b delete
+if "${P} > ${confinement_pressure}" then "jump SELF break2"
+next a
+jump SELF loopa
+label break2
+print "Over"
+
+restart 1000000 confined.restart confined2.restart
+
+run 1000000
+
+write_data box_confined.data
\ No newline at end of file
diff --git a/DATASET/P=40000Pa/2_shear.in b/DATASET/P=40000Pa/2_shear.in
new file mode 100644
index 0000000..1547629
--- /dev/null
+++ b/DATASET/P=40000Pa/2_shear.in
@@ -0,0 +1,36 @@
+read_restart confined.restart
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+
+fix 2 all deform 1 xy erate ${rate}
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+
+write_data box_sheared.data
+
diff --git a/DATASET/P=40000Pa/StrainStress.txt b/DATASET/P=40000Pa/StrainStress.txt
new file mode 100644
index 0000000..4cce3e1
--- /dev/null
+++ b/DATASET/P=40000Pa/StrainStress.txt
@@ -0,0 +1,1001 @@
+# Fix print output for fix output_file
+2.26264785132631e-05 -2484.2789628295440707
+0.000122635513541825 -2593.8128640803356575
+0.000222644548570539 -2703.3466979506115422
+0.000322653583599101 -2812.8795454999726644
+0.000422662618627816 -2922.4023082179141966
+0.000522671653656377 -3031.920764703255827
+0.000622680688685092 -3141.4373706807250528
+0.000722689723713654 -3250.9490737503938362
+0.000822698758742215 -3360.4595591383349529
+0.00092270779377093 -3470.0358913245968324
+0.00102271682879949 -3579.6457001535536619
+0.00112272586382821 -3689.2709576738534452
+0.00122273489885677 -3798.9008625253331957
+0.00132274393388548 -3908.5254795959394869
+0.00142275296891404 -4018.1298616322796988
+0.00152276200394261 -4127.7196796590378653
+0.00162277103897132 -4237.2934788325110276
+0.00172278007399988 -4346.841551312948468
+0.0018227891090286 -4456.346340863144178
+0.00192279814405716 -4565.7776658278689865
+0.00202280717908587 -4675.2005521942683117
+0.00212281621411443 -4784.6215117482061032
+0.002222825249143 -4894.0552796161455262
+0.00232283428417171 -5003.4882211217045551
+0.00242284331920027 -5112.9128022509903531
+0.00252285235422899 -5222.3230001322472162
+0.00262286138925755 -5331.7129677781767896
+0.00272287042428626 -5441.0764787357256864
+0.00282287945931482 -5550.4062976782870464
+0.00292288849434339 -5659.6926283061602589
+0.0030228975293721 -5768.9138591081145933
+0.00312290656440066 -5878.0804316103713063
+0.00322291559942938 -5987.2056986571769812
+0.00332292463445794 -6096.278293285289692
+0.00342293366948665 -6205.2715335637867611
+0.00352294270451522 -6314.2097673350281184
+0.00362295173954378 -6423.0967116182528116
+0.00372296077457249 -6531.9303113831356313
+0.00382296980960105 -6640.7079386812611119
+0.00392297884462977 -6749.4149235560644229
+0.00402298787965833 -6858.0203973770130688
+0.00412299691468704 -6966.5463646207863349
+0.00422300594971561 -7075.0865291446034462
+0.00432301498474417 -7183.5608155920799618
+0.00442302401977288 -7292.0906616596475942
+0.00452303305480144 -7400.6820554422292844
+0.00462304208983016 -7509.3257311378938539
+0.00472305112485872 -7618.0142089061300794
+0.00482306015988743 -7726.7411361857766678
+0.004923069194916 -7835.5413466614500066
+0.00502307822994456 -7944.4325163860976318
+0.00512308726497327 -8053.3814767628946356
+0.00522309630000183 -8162.3742079624380494
+0.00532310533503055 -8271.3989147197062266
+0.00542311437005911 -8380.4413056337507442
+0.00552312340508783 -8489.4807486438276101
+0.00562313244011639 -8598.5473829508482595
+0.00572314147514495 -8707.6356683901649376
+0.00582315051017366 -8816.7460743268529768
+0.00592315954520222 -8925.9142070314665034
+0.00602316858023094 -9035.1552230340785172
+0.0061231776152595 -9144.4505094066644233
+0.00622318665028822 -9253.8022540165275132
+0.00632319568531678 -9363.2094725388105871
+0.00642320472034534 -9472.6653723443378112
+0.00652321375537405 -9582.1604321169797913
+0.00662322279040262 -9691.6838329471283942
+0.00672323182543133 -9801.2425644910726987
+0.00682324086045989 -9910.830800478654055
+0.00692324989548861 -10020.439871026133915
+0.00702325893051717 -10130.051593145542938
+0.00712326796554573 -10239.659513297767262
+0.00722327700057444 -10349.288585286372836
+0.00732328603560301 -10458.946634568359514
+0.00742329507063172 -10568.632289092003703
+0.00752330410566028 -10678.338045180282279
+0.007623313140689 -10788.048881462245845
+0.00772332217571756 -10897.782583724454526
+0.00782333121074612 -11007.538894278737644
+0.00792334024577484 -11117.309930530278507
+0.0080233492808034 -11227.078712444817938
+0.00812335831583211 -11336.85902145667751
+0.00822336735086067 -11446.641533181165869
+0.00832337638588939 -11556.446211795248018
+0.00842338542091795 -11666.26982170251722
+0.00852339445594651 -11776.130048974662714
+0.00862340349097523 -11886.025451560171859
+0.00872341252600379 -11995.954166115008775
+0.0088234215610325 -12105.939952884882587
+0.00892343059606106 -12215.997085463654003
+0.00902343963108978 -12326.105270924223078
+0.00912344866611834 -12436.256889594944369
+0.0092234577011469 -12546.445518779668419
+0.00932346673617562 -12656.664833683395045
+0.00942347577120418 -12766.924288090218397
+0.00952348480623289 -12877.226030428719241
+0.00962349384126145 -12987.563536722342178
+0.00972350287629017 -13097.933098539535422
+0.00982351191131873 -13208.331550255234106
+0.00992352094634729 -13318.75589745049183
+0.010023529981376 -13429.203158910266211
+0.0101235390164046 -13539.670239380009662
+0.0102235480514333 -13650.165151389897801
+0.0103235570864618 -13760.69893968345059
+0.0104235661214906 -13871.254069853303008
+0.0105235751565191 -13981.817193667711763
+0.0106235841915477 -14092.436246542929439
+0.0107235932265764 -14203.100894739931391
+0.010823602261605 -14313.801109146388626
+0.0109236112966337 -14424.530607124797825
+0.0110236203316622 -14535.284105424458176
+0.0111236293666909 -14646.056489381195206
+0.0112236384017195 -14756.842075537357232
+0.0113236474367481 -14867.633701015485713
+0.0114236564717768 -14978.450834366507479
+0.0115236655068053 -15089.301832278735674
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diff --git a/DATASET/P=40000Pa/box_confined.data b/DATASET/P=40000Pa/box_confined.data
new file mode 100644
index 0000000..13fa36e
--- /dev/null
+++ b/DATASET/P=40000Pa/box_confined.data
@@ -0,0 +1,494 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2366866
+
+240 atoms
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diff --git a/DATASET/P=40000Pa/box_sheared.data b/DATASET/P=40000Pa/box_sheared.data
new file mode 100644
index 0000000..fa938ed
--- /dev/null
+++ b/DATASET/P=40000Pa/box_sheared.data
@@ -0,0 +1,495 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2220980
+
+240 atoms
+6 atom types
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+0.02737352148673595 0.07262647851326405 ylo yhi
+-0.0005 0.0005 zlo zhi
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+
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+172 -5.94311178787563 8.687263618643403 0 0 0 0
+177 4.813218718793819 18.324757873163055 0 0 0 0
+169 -7.086494234197518 7.8011718904096785 0 0 0 0
+167 -16.365038224421994 -6.7491380354232104 0 0 0 0
+161 1.5641218814208315 42.4424690262043 0 0 0 0
+170 -4.109760096299573 5.662667084736369 0 0 0 0
+178 -7.44699778331481 -10.170018616777345 0 0 0 0
+184 -2.8064300007563108 21.871044149684742 0 0 0 0
+171 -2.7855634573999875 8.729977921336099 0 0 0 0
+175 12.093639719080247 5.461699250943136 0 0 0 0
+183 1.9250293375371816 10.812541037318443 0 0 0 0
+198 3.48060267441339 -26.26710622729398 0 0 0 0
+174 33.799665148831714 44.31797557221397 0 0 0 0
+180 -6.308247777975563 -39.23412976522007 0 0 0 0
+179 18.732838592490086 34.612136184907754 0 0 0 0
+182 26.595778525248093 -5.102206672352591 0 0 0 0
+186 -1.1217519227365402 0.6805385079251038 0 0 0 0
+176 -3.142414948503631 -12.185719337511749 0 0 0 0
+197 29.06703339350704 8.136388259423377 0 0 0 0
+189 9.699947673614263 32.53555254322999 0 0 0 0
+206 4.727179425331183 19.796180187092503 0 0 0 0
+200 4.599147206338338 -9.738371997395976 0 0 0 0
+190 -8.891462520670556 28.602894723781173 0 0 0 0
+205 17.46850911676598 30.671623257760785 0 0 0 0
+191 -30.404702945025782 -24.16680717171125 0 0 0 0
+181 19.478640775699034 -25.212412622690348 0 0 0 0
+187 -7.39355616895609 15.432495434280913 0 0 0 0
+188 -1.3038158744882282 6.811031059040165 0 0 0 0
+193 42.15912702120993 10.686183279702892 0 0 0 0
+196 24.592207472129438 -8.655487253895616 0 0 0 0
+194 -21.251006393860084 -17.18120168732934 0 0 0 0
+220 8.396319165554944 6.433207347550205 0 0 0 0
+228 -24.02278216638581 -19.946656635291408 0 0 0 0
+201 6.3381076907201965 -20.474481305713944 0 0 0 0
+199 -18.054167767099344 -0.8559411260727708 0 0 0 0
+216 -15.091776207641873 -22.81598452477042 0 0 0 0
+209 -29.00250952924892 2.3489424646270427 0 0 0 0
+195 -23.838969222216637 19.943708262496784 0 0 0 0
+211 9.189511122905174 3.720452873098761 0 0 0 0
+208 6.674900629504983 34.333459275167606 0 0 0 0
+222 -3.8704219741808563 14.71079870153123 0 0 0 0
+210 20.327739189745113 -24.437164405013117 0 0 0 0
+212 -18.555483461075166 18.56352370069852 0 0 0 0
+239 19.137379827216495 -2.8767448084511993 0 0 0 0
+213 18.29523026553935 -3.7709491483749336 0 0 0 0
+218 -4.151618743547015 -3.5228714884114125 0 0 0 0
+217 -30.207880160316783 0.986000689774354 0 0 0 0
+231 36.70803873854461 23.063742745471725 0 0 0 0
+207 -1.5838650783028476 -17.815817559134082 0 0 0 0
+202 7.9113767627870955 -10.693647732274874 0 0 0 0
+204 -19.878044499908597 -5.197848625102841 0 0 0 0
+221 11.302577158549683 -8.723997211361842 0 0 0 0
+214 2.9659003451068386 10.81750990335764 0 0 0 0
+236 -4.8020583863463635 -5.960328686074005 0 0 0 0
+224 -4.260986650517089 -7.2108706961838385 0 0 0 0
+229 -2.8748206203205906 2.0596692404355084 0 0 0 0
+234 -4.14418015695816 29.42385057979482 0 0 0 0
+3 -20.760933909224732 29.00803462371797 0 0 0 0
+227 16.691511956887314 -1.592797189003326 0 0 0 0
+233 1.4467582858829102 -8.03438251846198 0 0 0 0
+5 -4.863248995300284 -19.76293824608351 0 0 0 0
+230 33.45595554545499 -11.829412623244625 0 0 0 0
+225 -13.732802868934481 5.462558501292762 0 0 0 0
+223 18.63575525758563 -6.720690411154585 0 0 0 0
+215 15.241039646936308 -25.498242205096773 0 0 0 0
+232 11.190217019554737 -10.985960366452916 0 0 0 0
+238 -22.043453954596554 -8.340572566944283 0 0 0 0
diff --git a/DATASET/P=40000Pa/confined.restart b/DATASET/P=40000Pa/confined.restart
new file mode 100644
index 0000000..f210a7b
Binary files /dev/null and b/DATASET/P=40000Pa/confined.restart differ
diff --git a/DATASET/P=40000Pa/log.lammps b/DATASET/P=40000Pa/log.lammps
new file mode 100644
index 0000000..803681a
--- /dev/null
+++ b/DATASET/P=40000Pa/log.lammps
@@ -0,0 +1,148 @@
+LAMMPS (29 Sep 2021 - Update 3)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
+ using 1 OpenMP thread(s) per MPI task
+read_restart confined.restart
+Reading restart file ...
+ restart file = 29 Sep 2021, LAMMPS = 29 Sep 2021
+ restoring atom style sphere from restart
+ orthogonal box = (0.027373521 0.027373521 -0.00050000000) to (0.072626479 0.072626479 0.00050000000)
+ 1 by 1 by 1 MPI processor grid
+ restoring pair style gran/hertz/history from restart
+ 240 atoms
+ read_restart CPU = 0.001 seconds
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable nb_step equal 220980
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+variable print_freq equal 221
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+Changing box ...
+ triclinic box = (0.027373521 0.027373521 -0.00050000000) to (0.072626479 0.072626479 0.00050000000) with tilt (0.0000000 0.0000000 0.0000000)
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+timestep 0.01
+
+fix 2 all deform 1 xy erate ${rate}
+fix 2 all deform 1 xy erate 4.52529570265281e-05
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+fix output_file all print 221 "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+run 220980
+Resetting global fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+Resetting peratom fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+All restart file global fix info was re-assigned
+All restart file peratom fix info was re-assigned
+Neighbor list info ...
+ update every 1 steps, delay 10 steps, check yes
+ max neighbors/atom: 2000, page size: 100000
+ master list distance cutoff = 0.0045
+ ghost atom cutoff = 0.0045
+ binsize = 0.00225, bins = 21 21 1
+ 1 neighbor lists, perpetual/occasional/extra = 1 0 0
+ (1) pair gran/hertz/history, perpetual
+ attributes: half, newton on, size, history
+ pair build: half/size/bin/newton/tri
+ stencil: half/bin/2d/tri
+ bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.981 | 9.981 | 9.981 Mbytes
+Step Atoms Lx Xy Pxy v_eps v_nb_step
+ 2000000 240 0.045252957 0 -2459.9874 0 220980
+ 2005000 240 0.045252957 0.00010239151 -4937.631 0.0022626479 220980
+ 2010000 240 0.045252957 0.00020478301 -7403.1395 0.0045252957 220980
+ 2015000 240 0.045252957 0.00030717452 -9872.1497 0.0067879436 220980
+ 2020000 240 0.045252957 0.00040956602 -12356.007 0.0090505914 220980
+ 2025000 240 0.045252957 0.00051195753 -14856.103 0.011313239 220980
+ 2030000 240 0.045252957 0.00061434904 -17364.774 0.013575887 220980
+ 2035000 240 0.045252957 0.00071674054 -19880.458 0.015838535 220980
+ 2040000 240 0.045252957 0.00081913205 -22392.186 0.018101183 220980
+ 2045000 240 0.045252957 0.00092152355 -24924.602 0.020363831 220980
+ 2050000 240 0.045252957 0.0010239151 -27489.278 0.022626479 220980
+ 2055000 240 0.045252957 0.0011263066 -30097.363 0.024889126 220980
+ 2060000 240 0.045252957 0.0012286981 -32752.903 0.027151774 220980
+ 2065000 240 0.045252957 0.0013310896 -35456.153 0.029414422 220980
+ 2070000 240 0.045252957 0.0014334811 -38198.136 0.03167707 220980
+ 2075000 240 0.045252957 0.0015358726 -40983.936 0.033939718 220980
+ 2080000 240 0.045252957 0.0016382641 -43812.299 0.036202366 220980
+ 2085000 240 0.045252957 0.0017406556 -46681.288 0.038465013 220980
+ 2090000 240 0.045252957 0.0018430471 -49593.461 0.040727661 220980
+ 2095000 240 0.045252957 0.0019454386 -52551.072 0.042990309 220980
+ 2100000 240 0.045252957 0.0020478301 -55556.579 0.045252957 220980
+ 2105000 240 0.045252957 0.0021502216 -58607.176 0.047515605 220980
+ 2110000 240 0.045252957 0.0022526131 -61710.991 0.049778253 220980
+ 2115000 240 0.045252957 0.0023550046 -64872.171 0.052040901 220980
+ 2120000 240 0.045252957 0.0024573961 -68086.743 0.054303548 220980
+ 2125000 240 0.045252957 0.0025597876 -71355.465 0.056566196 220980
+ 2130000 240 0.045252957 0.0026621792 -74681.351 0.058828844 220980
+ 2135000 240 0.045252957 0.0027645707 -78055.416 0.061091492 220980
+ 2140000 240 0.045252957 0.0028669622 -81477.303 0.06335414 220980
+ 2145000 240 0.045252957 0.0029693537 -84949.266 0.065616788 220980
+ 2150000 240 0.045252957 0.0030717452 -88473.401 0.067879436 220980
+ 2155000 240 0.045252957 0.0031741367 -92054.049 0.070142083 220980
+ 2160000 240 0.045252957 0.0032765282 -95684.592 0.072404731 220980
+ 2165000 240 0.045252957 0.0033789197 -99363.625 0.074667379 220980
+ 2170000 240 0.045252957 0.0034813112 -103094.66 0.076930027 220980
+ 2175000 240 0.045252957 0.0035837027 -106881.9 0.079192675 220980
+ 2180000 240 0.045252957 0.0036860942 -110719.1 0.081455323 220980
+ 2185000 240 0.045252957 0.0037884857 -114605.71 0.08371797 220980
+ 2190000 240 0.045252957 0.0038908772 -118542.5 0.085980618 220980
+ 2195000 240 0.045252957 0.0039932687 -122526.21 0.088243266 220980
+ 2200000 240 0.045252957 0.0040956602 -126562.47 0.090505914 220980
+ 2205000 240 0.045252957 0.0041980517 -130651.1 0.092768562 220980
+ 2210000 240 0.045252957 0.0043004433 -134786.1 0.09503121 220980
+ 2215000 240 0.045252957 0.0044028348 -138963.06 0.097293858 220980
+ 2220000 240 0.045252957 0.0045052263 -143182.87 0.099556505 220980
+ 2220980 240 0.045252957 0.004525295 -144014.71 0.099999984 220980
+Loop time of 4.0654 on 1 procs for 220980 steps with 240 atoms
+
+99.5% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 2.7721 | 2.7721 | 2.7721 | 0.0 | 68.19
+Neigh | 0.00079274 | 0.00079274 | 0.00079274 | 0.0 | 0.02
+Comm | 0.49426 | 0.49426 | 0.49426 | 0.0 | 12.16
+Output | 0.0064752 | 0.0064752 | 0.0064752 | 0.0 | 0.16
+Modify | 0.58367 | 0.58367 | 0.58367 | 0.0 | 14.36
+Other | | 0.2081 | | | 5.12
+
+Nlocal: 240.000 ave 240 max 240 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost: 106.000 ave 106 max 106 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs: 690.000 ave 690 max 690 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 690
+Ave neighs/atom = 2.8750000
+Neighbor list builds = 18
+Dangerous builds = 0
+
+write_data box_sheared.data
+System init for write_data ...
+
+Total wall time: 0:00:04
diff --git a/DATASET/P=50000Pa/1_generate_conf_50000Pa.in b/DATASET/P=50000Pa/1_generate_conf_50000Pa.in
new file mode 100644
index 0000000..1d61299
--- /dev/null
+++ b/DATASET/P=50000Pa/1_generate_conf_50000Pa.in
@@ -0,0 +1,265 @@
+atom_style sphere
+atom_modify map array
+dimension 2
+boundary p p p
+newton off
+comm_modify vel yes
+units si
+
+region reg block 0.0 0.1 0 0.1 -0.0005 0.0005 units box
+variable confinement_pressure equal 50000
+
+# How many grain/atom types
+create_box 6 reg
+
+# Size of bins for more efficiently searching for grain contacts.
+neighbor 0.001 bin
+
+# Reconstruct the neighbor list without any delay, every time-step
+neigh_modify delay 0
+
+# Glass marbles, tangential force
+pair_style gran/hertz/history 36630036630.0 0.0 0.2 NULL 0.0 0
+
+pair_coeff * *
+
+timestep 1e-8
+
+fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
+
+# Particle insertion in regions
+
+region region_gouge_1 block 0.00 0.1 0.0000 0.0025 -0.0005 0.0005 units box
+region region_gouge_2 block 0.00 0.1 0.0025 0.0050 -0.0005 0.0005 units box
+region region_gouge_3 block 0.00 0.1 0.0050 0.0075 -0.0005 0.0005 units box
+region region_gouge_4 block 0.00 0.1 0.0075 0.0100 -0.0005 0.0005 units box
+region region_gouge_5 block 0.00 0.1 0.0100 0.0125 -0.0005 0.0005 units box
+region region_gouge_6 block 0.00 0.1 0.0125 0.0150 -0.0005 0.0005 units box
+region region_gouge_7 block 0.00 0.1 0.0150 0.0175 -0.0005 0.0005 units box
+region region_gouge_8 block 0.00 0.1 0.0175 0.0200 -0.0005 0.0005 units box
+region region_gouge_9 block 0.00 0.1 0.0200 0.0225 -0.0005 0.0005 units box
+region region_gouge_10 block 0.00 0.1 0.0225 0.0250 -0.0005 0.0005 units box
+region region_gouge_11 block 0.00 0.1 0.0250 0.0275 -0.0005 0.0005 units box
+region region_gouge_12 block 0.00 0.1 0.0275 0.0300 -0.0005 0.0005 units box
+region region_gouge_13 block 0.00 0.1 0.0300 0.0325 -0.0005 0.0005 units box
+region region_gouge_14 block 0.00 0.1 0.0325 0.0350 -0.0005 0.0005 units box
+region region_gouge_15 block 0.00 0.1 0.0350 0.0375 -0.0005 0.0005 units box
+region region_gouge_16 block 0.00 0.1 0.0375 0.0400 -0.0005 0.0005 units box
+region region_gouge_17 block 0.00 0.1 0.0400 0.0425 -0.0005 0.0005 units box
+region region_gouge_18 block 0.00 0.1 0.0425 0.0450 -0.0005 0.0005 units box
+region region_gouge_19 block 0.00 0.1 0.0450 0.0475 -0.0005 0.0005 units box
+region region_gouge_20 block 0.00 0.1 0.0475 0.0500 -0.0005 0.0005 units box
+region region_gouge_21 block 0.00 0.1 0.0500 0.0525 -0.0005 0.0005 units box
+region region_gouge_22 block 0.00 0.1 0.0525 0.0550 -0.0005 0.0005 units box
+region region_gouge_23 block 0.00 0.1 0.0550 0.0575 -0.0005 0.0005 units box
+region region_gouge_24 block 0.00 0.1 0.0575 0.0600 -0.0005 0.0005 units box
+region region_gouge_25 block 0.00 0.1 0.0600 0.0625 -0.0005 0.0005 units box
+region region_gouge_26 block 0.00 0.1 0.0625 0.0650 -0.0005 0.0005 units box
+region region_gouge_27 block 0.00 0.1 0.0650 0.0675 -0.0005 0.0005 units box
+region region_gouge_28 block 0.00 0.1 0.0675 0.0700 -0.0005 0.0005 units box
+region region_gouge_29 block 0.00 0.1 0.0700 0.0725 -0.0005 0.0005 units box
+region region_gouge_30 block 0.00 0.1 0.0725 0.0750 -0.0005 0.0005 units box
+region region_gouge_31 block 0.00 0.1 0.0750 0.0775 -0.0005 0.0005 units box
+region region_gouge_32 block 0.00 0.1 0.0775 0.0800 -0.0005 0.0005 units box
+region region_gouge_33 block 0.00 0.1 0.0800 0.0825 -0.0005 0.0005 units box
+region region_gouge_34 block 0.00 0.1 0.0825 0.0850 -0.0005 0.0005 units box
+region region_gouge_35 block 0.00 0.1 0.0850 0.0875 -0.0005 0.0005 units box
+region region_gouge_36 block 0.00 0.1 0.0875 0.0900 -0.0005 0.0005 units box
+region region_gouge_37 block 0.00 0.1 0.0900 0.0925 -0.0005 0.0005 units box
+region region_gouge_38 block 0.00 0.1 0.0925 0.0950 -0.0005 0.0005 units box
+region region_gouge_39 block 0.00 0.1 0.0950 0.0975 -0.0005 0.0005 units box
+region region_gouge_40 block 0.00 0.1 0.0975 0.1000 -0.0005 0.0005 units box
+
+group nve_group region region_gouge_1
+group nve_group region region_gouge_2
+group nve_group region region_gouge_3
+group nve_group region region_gouge_4
+group nve_group region region_gouge_5
+group nve_group region region_gouge_6
+group nve_group region region_gouge_7
+group nve_group region region_gouge_8
+group nve_group region region_gouge_9
+group nve_group region region_gouge_10
+group nve_group region region_gouge_11
+group nve_group region region_gouge_12
+group nve_group region region_gouge_13
+group nve_group region region_gouge_14
+group nve_group region region_gouge_15
+group nve_group region region_gouge_16
+group nve_group region region_gouge_17
+group nve_group region region_gouge_18
+group nve_group region region_gouge_19
+group nve_group region region_gouge_20
+group nve_group region region_gouge_21
+group nve_group region region_gouge_22
+group nve_group region region_gouge_23
+group nve_group region region_gouge_24
+group nve_group region region_gouge_25
+group nve_group region region_gouge_26
+group nve_group region region_gouge_27
+group nve_group region region_gouge_28
+group nve_group region region_gouge_29
+group nve_group region region_gouge_30
+group nve_group region region_gouge_31
+group nve_group region region_gouge_32
+group nve_group region region_gouge_33
+group nve_group region region_gouge_34
+group nve_group region region_gouge_35
+group nve_group region region_gouge_36
+group nve_group region region_gouge_37
+group nve_group region region_gouge_38
+group nve_group region region_gouge_39
+group nve_group region region_gouge_40
+
+fix ins_1 nve_group pour 50000 1 48 region region_gouge_1 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_2 nve_group pour 50000 1 503 region region_gouge_2 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_3 nve_group pour 50000 1 407 region region_gouge_3 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_4 nve_group pour 50000 1 574 region region_gouge_4 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_5 nve_group pour 50000 1 728 region region_gouge_5 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_6 nve_group pour 50000 1 805 region region_gouge_6 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_7 nve_group pour 50000 1 99 region region_gouge_7 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_8 nve_group pour 50000 1 684 region region_gouge_8 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_9 nve_group pour 50000 1 872 region region_gouge_9 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_10 nve_group pour 50000 1 726 region region_gouge_10 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_11 nve_group pour 50000 1 987 region region_gouge_11 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_12 nve_group pour 50000 1 547 region region_gouge_12 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_13 nve_group pour 50000 1 961 region region_gouge_13 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_14 nve_group pour 50000 1 739 region region_gouge_14 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_15 nve_group pour 50000 1 613 region region_gouge_15 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_16 nve_group pour 50000 1 943 region region_gouge_16 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_17 nve_group pour 50000 1 462 region region_gouge_17 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_18 nve_group pour 50000 1 643 region region_gouge_18 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_19 nve_group pour 50000 1 769 region region_gouge_19 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_20 nve_group pour 50000 1 5 region region_gouge_20 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_21 nve_group pour 50000 1 218 region region_gouge_21 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_22 nve_group pour 50000 1 503 region region_gouge_22 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_23 nve_group pour 50000 1 767 region region_gouge_23 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_24 nve_group pour 50000 1 398 region region_gouge_24 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_25 nve_group pour 50000 1 871 region region_gouge_25 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_26 nve_group pour 50000 1 795 region region_gouge_26 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_27 nve_group pour 50000 1 393 region region_gouge_27 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_28 nve_group pour 50000 1 207 region region_gouge_28 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_29 nve_group pour 50000 1 15 region region_gouge_29 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_30 nve_group pour 50000 1 858 region region_gouge_30 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_31 nve_group pour 50000 1 554 region region_gouge_31 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_32 nve_group pour 50000 1 892 region region_gouge_32 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_33 nve_group pour 50000 1 461 region region_gouge_33 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_34 nve_group pour 50000 1 691 region region_gouge_34 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_35 nve_group pour 50000 1 575 region region_gouge_35 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_36 nve_group pour 50000 1 864 region region_gouge_36 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_37 nve_group pour 50000 1 743 region region_gouge_37 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_38 nve_group pour 50000 1 241 region region_gouge_38 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_39 nve_group pour 50000 1 564 region region_gouge_39 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_40 nve_group pour 50000 1 96 region region_gouge_40 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+
+run 1
+
+set group nve_group density/disc 2.5
+fix integr nve_group nve/sphere disc
+fix makeit2d all enforce2d
+
+thermo 1
+thermo_modify lost ignore norm no
+
+# Unfix particle insertion
+
+unfix ins_1
+unfix ins_2
+unfix ins_3
+unfix ins_4
+unfix ins_5
+unfix ins_6
+unfix ins_7
+unfix ins_8
+unfix ins_9
+unfix ins_10
+unfix ins_11
+unfix ins_12
+unfix ins_13
+unfix ins_14
+unfix ins_15
+unfix ins_16
+unfix ins_17
+unfix ins_18
+unfix ins_19
+unfix ins_20
+unfix ins_21
+unfix ins_22
+unfix ins_23
+unfix ins_24
+unfix ins_25
+unfix ins_26
+unfix ins_27
+unfix ins_28
+unfix ins_29
+unfix ins_30
+unfix ins_31
+unfix ins_32
+unfix ins_33
+unfix ins_34
+unfix ins_35
+unfix ins_36
+unfix ins_37
+unfix ins_38
+unfix ins_39
+unfix ins_40
+
+run 100 upto
+
+# Set gouge layer grain density
+set group all density/disc 2.5
+
+# Apply NVE integration to all particles
+fix integr all nve/sphere disc
+
+# Output settings
+compute 1 all erotate/sphere
+compute 2 all contact/atom
+compute 3 all ke
+
+variable Sxx equal pxx
+variable Syy equal pyy
+variable TotalPressure equal (v_Sxx+v_Syy)/2.0
+
+thermo_style custom step atoms ke pxx pyy v_TotalPressure ly
+thermo 50000
+thermo_modify lost ignore norm no
+
+set group all density/disc 2.5
+
+# Stop the confining pressure once the pressure is superior to the desired pressure
+fix condition all halt 1 v_Syy > ${confinement_pressure} error continue
+fix def all deform 1 x erate -50 y erate -50 z erate 0
+
+run 1500000
+unfix def
+unfix condition
+
+run 10000
+
+# Check if the pressure does not decrease
+label loopa
+variable a loop 1000
+ label loopb
+ variable P equal pyy
+ variable b loop 1000
+ if "${P} > ${confinement_pressure}" then "jump SELF break"
+ fix def all deform 1 x erate -10 y erate -10 z erate 0
+ run 1000
+ unfix def
+ run 10000
+ next b
+ jump SELF loopb
+ label break
+ variable b delete
+if "${P} > ${confinement_pressure}" then "jump SELF break2"
+next a
+jump SELF loopa
+label break2
+print "Over"
+
+restart 1000000 confined.restart confined2.restart
+
+run 1000000
+
+write_data box_confined.data
\ No newline at end of file
diff --git a/DATASET/P=50000Pa/2_shear.in b/DATASET/P=50000Pa/2_shear.in
new file mode 100644
index 0000000..1547629
--- /dev/null
+++ b/DATASET/P=50000Pa/2_shear.in
@@ -0,0 +1,36 @@
+read_restart confined.restart
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+
+fix 2 all deform 1 xy erate ${rate}
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+
+write_data box_sheared.data
+
diff --git a/DATASET/P=50000Pa/StrainStress.txt b/DATASET/P=50000Pa/StrainStress.txt
new file mode 100644
index 0000000..e73fded
--- /dev/null
+++ b/DATASET/P=50000Pa/StrainStress.txt
@@ -0,0 +1,999 @@
+# Fix print output for fix output_file
+9.92100060746232e-05 672.57829929773788535
+0.000199321921295262 534.67541301075789306
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+0.0990097822441438 -157108.50935492970166
+0.0991098941593644 -157306.65328635511105
+0.099210006074585 -157504.85645475372439
+0.0993101179898058 -157703.11858211824438
+0.0994102299050266 -157901.43938533312757
+0.0995103418202473 -158099.8185745132505
+0.0996104537354681 -158298.25585093599511
+0.0997105656506887 -158496.75090426817769
+0.0998106775659095 -158695.3034085809777
+0.0999107894811301 -158893.91301641211612
diff --git a/DATASET/P=50000Pa/box_confined.data b/DATASET/P=50000Pa/box_confined.data
new file mode 100644
index 0000000..2332e3a
--- /dev/null
+++ b/DATASET/P=50000Pa/box_confined.data
@@ -0,0 +1,494 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2151830
+
+240 atoms
+6 atom types
+
+0.027452271346685233 0.07254772865331478 xlo xhi
+0.027452271346685233 0.07254772865331478 ylo yhi
+-0.0005 0.0005 zlo zhi
+
+Atoms # sphere
+
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diff --git a/DATASET/P=50000Pa/box_sheared.data b/DATASET/P=50000Pa/box_sheared.data
new file mode 100644
index 0000000..85daccc
--- /dev/null
+++ b/DATASET/P=50000Pa/box_sheared.data
@@ -0,0 +1,495 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2221752
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diff --git a/DATASET/P=50000Pa/confined.restart b/DATASET/P=50000Pa/confined.restart
new file mode 100644
index 0000000..34e8169
Binary files /dev/null and b/DATASET/P=50000Pa/confined.restart differ
diff --git a/DATASET/P=50000Pa/log.lammps b/DATASET/P=50000Pa/log.lammps
new file mode 100644
index 0000000..982aa51
--- /dev/null
+++ b/DATASET/P=50000Pa/log.lammps
@@ -0,0 +1,148 @@
+LAMMPS (29 Sep 2021 - Update 3)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
+ using 1 OpenMP thread(s) per MPI task
+read_restart confined.restart
+Reading restart file ...
+ restart file = 29 Sep 2021, LAMMPS = 29 Sep 2021
+ restoring atom style sphere from restart
+ orthogonal box = (0.027452271 0.027452271 -0.00050000000) to (0.072547729 0.072547729 0.00050000000)
+ 1 by 1 by 1 MPI processor grid
+ restoring pair style gran/hertz/history from restart
+ 240 atoms
+ read_restart CPU = 0.001 seconds
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable nb_step equal 221752
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+variable print_freq equal 222
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+Changing box ...
+ triclinic box = (0.027452271 0.027452271 -0.00050000000) to (0.072547729 0.072547729 0.00050000000) with tilt (0.0000000 0.0000000 0.0000000)
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+timestep 0.01
+
+fix 2 all deform 1 xy erate ${rate}
+fix 2 all deform 1 xy erate 4.50954573066296e-05
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+fix output_file all print 222 "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+run 221752
+Resetting global fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+Resetting peratom fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+All restart file global fix info was re-assigned
+All restart file peratom fix info was re-assigned
+Neighbor list info ...
+ update every 1 steps, delay 10 steps, check yes
+ max neighbors/atom: 2000, page size: 100000
+ master list distance cutoff = 0.0045
+ ghost atom cutoff = 0.0045
+ binsize = 0.00225, bins = 21 21 1
+ 1 neighbor lists, perpetual/occasional/extra = 1 0 0
+ (1) pair gran/hertz/history, perpetual
+ attributes: half, newton on, size, history
+ pair build: half/size/bin/newton/tri
+ stencil: half/bin/2d/tri
+ bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.981 | 9.981 | 9.981 Mbytes
+Step Atoms Lx Xy Pxy v_eps v_nb_step
+ 2000000 240 0.045095457 0 808.61584 0 221752
+ 2005000 240 0.045095457 0.00010168001 -2291.176 0.0022547729 221752
+ 2010000 240 0.045095457 0.00020336003 -5376.2848 0.0045095457 221752
+ 2015000 240 0.045095457 0.00030504004 -8437.2917 0.0067643186 221752
+ 2020000 240 0.045095457 0.00040672005 -11489.003 0.0090190915 221752
+ 2025000 240 0.045095457 0.00050840007 -14546.837 0.011273864 221752
+ 2030000 240 0.045095457 0.00061008008 -17599.851 0.013528637 221752
+ 2035000 240 0.045095457 0.00071176009 -20640.983 0.01578341 221752
+ 2040000 240 0.045095457 0.00081344011 -23682.567 0.018038183 221752
+ 2045000 240 0.045095457 0.00091512012 -26740.762 0.020292956 221752
+ 2050000 240 0.045095457 0.0010168001 -29820.37 0.022547729 221752
+ 2055000 240 0.045095457 0.0011184801 -32908.598 0.024802502 221752
+ 2060000 240 0.045095457 0.0012201602 -36015.266 0.027057274 221752
+ 2065000 240 0.045095457 0.0013218402 -39139.522 0.029312047 221752
+ 2070000 240 0.045095457 0.0014235202 -42283.648 0.03156682 221752
+ 2075000 240 0.045095457 0.0015252002 -45463.922 0.033821593 221752
+ 2080000 240 0.045095457 0.0016268802 -48680.06 0.036076366 221752
+ 2085000 240 0.045095457 0.0017285602 -51942.276 0.038331139 221752
+ 2090000 240 0.045095457 0.0018302402 -55254.961 0.040585912 221752
+ 2095000 240 0.045095457 0.0019319203 -58613.489 0.042840684 221752
+ 2100000 240 0.045095457 0.0020336003 -62016.85 0.045095457 221752
+ 2105000 240 0.045095457 0.0021352803 -65459.458 0.04735023 221752
+ 2110000 240 0.045095457 0.0022369603 -68940.298 0.049605003 221752
+ 2115000 240 0.045095457 0.0023386403 -72468.044 0.051859776 221752
+ 2120000 240 0.045095457 0.0024403203 -76043.569 0.054114549 221752
+ 2125000 240 0.045095457 0.0025420003 -79671.911 0.056369322 221752
+ 2130000 240 0.045095457 0.0026436804 -83356.66 0.058624094 221752
+ 2135000 240 0.045095457 0.0027453604 -87096.468 0.060878867 221752
+ 2140000 240 0.045095457 0.0028470404 -90889.223 0.06313364 221752
+ 2145000 240 0.045095457 0.0029487204 -94734.328 0.065388413 221752
+ 2150000 240 0.045095457 0.0030504004 -98630.039 0.067643186 221752
+ 2155000 240 0.045095457 0.0031520804 -102572.46 0.069897959 221752
+ 2160000 240 0.045095457 0.0032537604 -106559 0.072152732 221752
+ 2165000 240 0.045095457 0.0033554404 -110588.72 0.074407505 221752
+ 2170000 240 0.045095457 0.0034571205 -114660.83 0.076662277 221752
+ 2175000 240 0.045095457 0.0035588005 -118775.65 0.07891705 221752
+ 2180000 240 0.045095457 0.0036604805 -122929.76 0.081171823 221752
+ 2185000 240 0.045095457 0.0037621605 -127120.75 0.083426596 221752
+ 2190000 240 0.045095457 0.0038638405 -131346.48 0.085681369 221752
+ 2195000 240 0.045095457 0.0039655205 -135607.45 0.087936142 221752
+ 2200000 240 0.045095457 0.0040672005 -139912.08 0.090190915 221752
+ 2205000 240 0.045095457 0.0041688806 -144257.8 0.092445687 221752
+ 2210000 240 0.045095457 0.0042705606 -148639.69 0.09470046 221752
+ 2215000 240 0.045095457 0.0043722406 -153055.64 0.096955233 221752
+ 2220000 240 0.045095457 0.0044739206 -157504.86 0.099210006 221752
+ 2221752 240 0.045095457 0.0045095493 -159071.1 0.10000008 221752
+Loop time of 4.37527 on 1 procs for 221752 steps with 240 atoms
+
+99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 3.1258 | 3.1258 | 3.1258 | 0.0 | 71.44
+Neigh | 0.000736 | 0.000736 | 0.000736 | 0.0 | 0.02
+Comm | 0.47658 | 0.47658 | 0.47658 | 0.0 | 10.89
+Output | 0.0053062 | 0.0053062 | 0.0053062 | 0.0 | 0.12
+Modify | 0.56184 | 0.56184 | 0.56184 | 0.0 | 12.84
+Other | | 0.205 | | | 4.69
+
+Nlocal: 240.000 ave 240 max 240 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost: 107.000 ave 107 max 107 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs: 698.000 ave 698 max 698 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 698
+Ave neighs/atom = 2.9083333
+Neighbor list builds = 18
+Dangerous builds = 0
+
+write_data box_sheared.data
+System init for write_data ...
+
+Total wall time: 0:00:04
diff --git a/DATASET/P=60000Pa/1_generate_conf_60000Pa.in b/DATASET/P=60000Pa/1_generate_conf_60000Pa.in
new file mode 100644
index 0000000..560358c
--- /dev/null
+++ b/DATASET/P=60000Pa/1_generate_conf_60000Pa.in
@@ -0,0 +1,265 @@
+atom_style sphere
+atom_modify map array
+dimension 2
+boundary p p p
+newton off
+comm_modify vel yes
+units si
+
+region reg block 0.0 0.1 0 0.1 -0.0005 0.0005 units box
+variable confinement_pressure equal 60000
+
+# How many grain/atom types
+create_box 6 reg
+
+# Size of bins for more efficiently searching for grain contacts.
+neighbor 0.001 bin
+
+# Reconstruct the neighbor list without any delay, every time-step
+neigh_modify delay 0
+
+# Glass marbles, tangential force
+pair_style gran/hertz/history 36630036630.0 0.0 0.2 NULL 0.0 0
+
+pair_coeff * *
+
+timestep 1e-8
+
+fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
+
+# Particle insertion in regions
+
+region region_gouge_1 block 0.00 0.1 0.0000 0.0025 -0.0005 0.0005 units box
+region region_gouge_2 block 0.00 0.1 0.0025 0.0050 -0.0005 0.0005 units box
+region region_gouge_3 block 0.00 0.1 0.0050 0.0075 -0.0005 0.0005 units box
+region region_gouge_4 block 0.00 0.1 0.0075 0.0100 -0.0005 0.0005 units box
+region region_gouge_5 block 0.00 0.1 0.0100 0.0125 -0.0005 0.0005 units box
+region region_gouge_6 block 0.00 0.1 0.0125 0.0150 -0.0005 0.0005 units box
+region region_gouge_7 block 0.00 0.1 0.0150 0.0175 -0.0005 0.0005 units box
+region region_gouge_8 block 0.00 0.1 0.0175 0.0200 -0.0005 0.0005 units box
+region region_gouge_9 block 0.00 0.1 0.0200 0.0225 -0.0005 0.0005 units box
+region region_gouge_10 block 0.00 0.1 0.0225 0.0250 -0.0005 0.0005 units box
+region region_gouge_11 block 0.00 0.1 0.0250 0.0275 -0.0005 0.0005 units box
+region region_gouge_12 block 0.00 0.1 0.0275 0.0300 -0.0005 0.0005 units box
+region region_gouge_13 block 0.00 0.1 0.0300 0.0325 -0.0005 0.0005 units box
+region region_gouge_14 block 0.00 0.1 0.0325 0.0350 -0.0005 0.0005 units box
+region region_gouge_15 block 0.00 0.1 0.0350 0.0375 -0.0005 0.0005 units box
+region region_gouge_16 block 0.00 0.1 0.0375 0.0400 -0.0005 0.0005 units box
+region region_gouge_17 block 0.00 0.1 0.0400 0.0425 -0.0005 0.0005 units box
+region region_gouge_18 block 0.00 0.1 0.0425 0.0450 -0.0005 0.0005 units box
+region region_gouge_19 block 0.00 0.1 0.0450 0.0475 -0.0005 0.0005 units box
+region region_gouge_20 block 0.00 0.1 0.0475 0.0500 -0.0005 0.0005 units box
+region region_gouge_21 block 0.00 0.1 0.0500 0.0525 -0.0005 0.0005 units box
+region region_gouge_22 block 0.00 0.1 0.0525 0.0550 -0.0005 0.0005 units box
+region region_gouge_23 block 0.00 0.1 0.0550 0.0575 -0.0005 0.0005 units box
+region region_gouge_24 block 0.00 0.1 0.0575 0.0600 -0.0005 0.0005 units box
+region region_gouge_25 block 0.00 0.1 0.0600 0.0625 -0.0005 0.0005 units box
+region region_gouge_26 block 0.00 0.1 0.0625 0.0650 -0.0005 0.0005 units box
+region region_gouge_27 block 0.00 0.1 0.0650 0.0675 -0.0005 0.0005 units box
+region region_gouge_28 block 0.00 0.1 0.0675 0.0700 -0.0005 0.0005 units box
+region region_gouge_29 block 0.00 0.1 0.0700 0.0725 -0.0005 0.0005 units box
+region region_gouge_30 block 0.00 0.1 0.0725 0.0750 -0.0005 0.0005 units box
+region region_gouge_31 block 0.00 0.1 0.0750 0.0775 -0.0005 0.0005 units box
+region region_gouge_32 block 0.00 0.1 0.0775 0.0800 -0.0005 0.0005 units box
+region region_gouge_33 block 0.00 0.1 0.0800 0.0825 -0.0005 0.0005 units box
+region region_gouge_34 block 0.00 0.1 0.0825 0.0850 -0.0005 0.0005 units box
+region region_gouge_35 block 0.00 0.1 0.0850 0.0875 -0.0005 0.0005 units box
+region region_gouge_36 block 0.00 0.1 0.0875 0.0900 -0.0005 0.0005 units box
+region region_gouge_37 block 0.00 0.1 0.0900 0.0925 -0.0005 0.0005 units box
+region region_gouge_38 block 0.00 0.1 0.0925 0.0950 -0.0005 0.0005 units box
+region region_gouge_39 block 0.00 0.1 0.0950 0.0975 -0.0005 0.0005 units box
+region region_gouge_40 block 0.00 0.1 0.0975 0.1000 -0.0005 0.0005 units box
+
+group nve_group region region_gouge_1
+group nve_group region region_gouge_2
+group nve_group region region_gouge_3
+group nve_group region region_gouge_4
+group nve_group region region_gouge_5
+group nve_group region region_gouge_6
+group nve_group region region_gouge_7
+group nve_group region region_gouge_8
+group nve_group region region_gouge_9
+group nve_group region region_gouge_10
+group nve_group region region_gouge_11
+group nve_group region region_gouge_12
+group nve_group region region_gouge_13
+group nve_group region region_gouge_14
+group nve_group region region_gouge_15
+group nve_group region region_gouge_16
+group nve_group region region_gouge_17
+group nve_group region region_gouge_18
+group nve_group region region_gouge_19
+group nve_group region region_gouge_20
+group nve_group region region_gouge_21
+group nve_group region region_gouge_22
+group nve_group region region_gouge_23
+group nve_group region region_gouge_24
+group nve_group region region_gouge_25
+group nve_group region region_gouge_26
+group nve_group region region_gouge_27
+group nve_group region region_gouge_28
+group nve_group region region_gouge_29
+group nve_group region region_gouge_30
+group nve_group region region_gouge_31
+group nve_group region region_gouge_32
+group nve_group region region_gouge_33
+group nve_group region region_gouge_34
+group nve_group region region_gouge_35
+group nve_group region region_gouge_36
+group nve_group region region_gouge_37
+group nve_group region region_gouge_38
+group nve_group region region_gouge_39
+group nve_group region region_gouge_40
+
+fix ins_1 nve_group pour 50000 1 900 region region_gouge_1 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_2 nve_group pour 50000 1 734 region region_gouge_2 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_3 nve_group pour 50000 1 485 region region_gouge_3 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_4 nve_group pour 50000 1 407 region region_gouge_4 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_5 nve_group pour 50000 1 231 region region_gouge_5 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_6 nve_group pour 50000 1 749 region region_gouge_6 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_7 nve_group pour 50000 1 655 region region_gouge_7 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_8 nve_group pour 50000 1 171 region region_gouge_8 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_9 nve_group pour 50000 1 541 region region_gouge_9 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_10 nve_group pour 50000 1 36 region region_gouge_10 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_11 nve_group pour 50000 1 525 region region_gouge_11 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_12 nve_group pour 50000 1 160 region region_gouge_12 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_13 nve_group pour 50000 1 839 region region_gouge_13 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_14 nve_group pour 50000 1 699 region region_gouge_14 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_15 nve_group pour 50000 1 243 region region_gouge_15 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_16 nve_group pour 50000 1 86 region region_gouge_16 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_17 nve_group pour 50000 1 796 region region_gouge_17 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_18 nve_group pour 50000 1 578 region region_gouge_18 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_19 nve_group pour 50000 1 682 region region_gouge_19 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_20 nve_group pour 50000 1 557 region region_gouge_20 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_21 nve_group pour 50000 1 574 region region_gouge_21 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_22 nve_group pour 50000 1 953 region region_gouge_22 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_23 nve_group pour 50000 1 646 region region_gouge_23 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_24 nve_group pour 50000 1 796 region region_gouge_24 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_25 nve_group pour 50000 1 28 region region_gouge_25 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_26 nve_group pour 50000 1 620 region region_gouge_26 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_27 nve_group pour 50000 1 556 region region_gouge_27 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_28 nve_group pour 50000 1 340 region region_gouge_28 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_29 nve_group pour 50000 1 798 region region_gouge_29 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_30 nve_group pour 50000 1 958 region region_gouge_30 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_31 nve_group pour 50000 1 331 region region_gouge_31 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_32 nve_group pour 50000 1 640 region region_gouge_32 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_33 nve_group pour 50000 1 506 region region_gouge_33 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_34 nve_group pour 50000 1 348 region region_gouge_34 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_35 nve_group pour 50000 1 473 region region_gouge_35 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_36 nve_group pour 50000 1 231 region region_gouge_36 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_37 nve_group pour 50000 1 190 region region_gouge_37 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_38 nve_group pour 50000 1 225 region region_gouge_38 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_39 nve_group pour 50000 1 385 region region_gouge_39 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_40 nve_group pour 50000 1 377 region region_gouge_40 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+
+run 1
+
+set group nve_group density/disc 2.5
+fix integr nve_group nve/sphere disc
+fix makeit2d all enforce2d
+
+thermo 1
+thermo_modify lost ignore norm no
+
+# Unfix particle insertion
+
+unfix ins_1
+unfix ins_2
+unfix ins_3
+unfix ins_4
+unfix ins_5
+unfix ins_6
+unfix ins_7
+unfix ins_8
+unfix ins_9
+unfix ins_10
+unfix ins_11
+unfix ins_12
+unfix ins_13
+unfix ins_14
+unfix ins_15
+unfix ins_16
+unfix ins_17
+unfix ins_18
+unfix ins_19
+unfix ins_20
+unfix ins_21
+unfix ins_22
+unfix ins_23
+unfix ins_24
+unfix ins_25
+unfix ins_26
+unfix ins_27
+unfix ins_28
+unfix ins_29
+unfix ins_30
+unfix ins_31
+unfix ins_32
+unfix ins_33
+unfix ins_34
+unfix ins_35
+unfix ins_36
+unfix ins_37
+unfix ins_38
+unfix ins_39
+unfix ins_40
+
+run 100 upto
+
+# Set gouge layer grain density
+set group all density/disc 2.5
+
+# Apply NVE integration to all particles
+fix integr all nve/sphere disc
+
+# Output settings
+compute 1 all erotate/sphere
+compute 2 all contact/atom
+compute 3 all ke
+
+variable Sxx equal pxx
+variable Syy equal pyy
+variable TotalPressure equal (v_Sxx+v_Syy)/2.0
+
+thermo_style custom step atoms ke pxx pyy v_TotalPressure ly
+thermo 50000
+thermo_modify lost ignore norm no
+
+set group all density/disc 2.5
+
+# Stop the confining pressure once the pressure is superior to the desired pressure
+fix condition all halt 1 v_Syy > ${confinement_pressure} error continue
+fix def all deform 1 x erate -50 y erate -50 z erate 0
+
+run 1500000
+unfix def
+unfix condition
+
+run 10000
+
+# Check if the pressure does not decrease
+label loopa
+variable a loop 1000
+ label loopb
+ variable P equal pyy
+ variable b loop 1000
+ if "${P} > ${confinement_pressure}" then "jump SELF break"
+ fix def all deform 1 x erate -10 y erate -10 z erate 0
+ run 1000
+ unfix def
+ run 10000
+ next b
+ jump SELF loopb
+ label break
+ variable b delete
+if "${P} > ${confinement_pressure}" then "jump SELF break2"
+next a
+jump SELF loopa
+label break2
+print "Over"
+
+restart 1000000 confined.restart confined2.restart
+
+run 1000000
+
+write_data box_confined.data
\ No newline at end of file
diff --git a/DATASET/P=60000Pa/2_shear.in b/DATASET/P=60000Pa/2_shear.in
new file mode 100644
index 0000000..1547629
--- /dev/null
+++ b/DATASET/P=60000Pa/2_shear.in
@@ -0,0 +1,36 @@
+read_restart confined.restart
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+
+fix 2 all deform 1 xy erate ${rate}
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+
+write_data box_sheared.data
+
diff --git a/DATASET/P=60000Pa/StrainStress.txt b/DATASET/P=60000Pa/StrainStress.txt
new file mode 100644
index 0000000..a894276
--- /dev/null
+++ b/DATASET/P=60000Pa/StrainStress.txt
@@ -0,0 +1,999 @@
+# Fix print output for fix output_file
+4.29352088051059e-05 1876.3834624181015442
+0.000143117362683583 1715.5546655423679567
+0.000243299516562215 1554.7682539469531093
+0.000343481670440692 1394.0201680490515628
+0.000443663824319325 1233.3116647464671587
+0.000543845978197802 1072.6583283498985111
+0.000644028132076434 912.08113492419329305
+0.000744210285954911 751.55580552815627016
+0.000844392439833543 591.05247246835199348
+0.00094457459371202 430.5174489392110786
+0.00104475674759065 269.96528908562612514
+0.00114493890146913 109.41735071985389993
+0.00124512105534776 -51.116712798160833131
+0.00134530320922624 -211.63004853024605723
+0.00144548536310487 -372.11704146800315129
+0.00154566751698335 -532.57272292694665339
+0.00164584967086183 -692.99247265156554931
+0.00174603182474046 -853.3886003969413423
+0.00184621397861893 -1013.8222277113071641
+0.00194639613249757 -1174.2663441531858552
+0.00204657828637604 -1334.6973349803079145
+0.00214676044025468 -1495.102660103262906
+0.00224694259413315 -1655.4718345540047721
+0.00234712474801179 -1815.7939488387780784
+0.00244730690189026 -1976.0533535784857122
+0.00254748905576889 -2136.2628288280025117
+0.00264767120964737 -2296.4445000666451051
+0.002747853363526 -2456.5748177140503685
+0.00284803551740448 -2616.6542256047505361
+0.00294821767128311 -2776.6710544503930578
+0.00304839982516159 -2936.6552258079564126
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diff --git a/DATASET/P=60000Pa/box_confined.data b/DATASET/P=60000Pa/box_confined.data
new file mode 100644
index 0000000..baca3f2
--- /dev/null
+++ b/DATASET/P=60000Pa/box_confined.data
@@ -0,0 +1,494 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2344736
+
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diff --git a/DATASET/P=60000Pa/box_sheared.data b/DATASET/P=60000Pa/box_sheared.data
new file mode 100644
index 0000000..83b9be3
--- /dev/null
+++ b/DATASET/P=60000Pa/box_sheared.data
@@ -0,0 +1,495 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2223593
+
+240 atoms
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diff --git a/DATASET/P=60000Pa/confined.restart b/DATASET/P=60000Pa/confined.restart
new file mode 100644
index 0000000..51cac03
Binary files /dev/null and b/DATASET/P=60000Pa/confined.restart differ
diff --git a/DATASET/P=60000Pa/log.lammps b/DATASET/P=60000Pa/log.lammps
new file mode 100644
index 0000000..6eb378f
--- /dev/null
+++ b/DATASET/P=60000Pa/log.lammps
@@ -0,0 +1,148 @@
+LAMMPS (29 Sep 2021 - Update 3)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
+ using 1 OpenMP thread(s) per MPI task
+read_restart confined.restart
+Reading restart file ...
+ restart file = 29 Sep 2021, LAMMPS = 29 Sep 2021
+ restoring atom style sphere from restart
+ orthogonal box = (0.027637912 0.027637912 -0.00050000000) to (0.072362088 0.072362088 0.00050000000)
+ 1 by 1 by 1 MPI processor grid
+ restoring pair style gran/hertz/history from restart
+ 240 atoms
+ read_restart CPU = 0.001 seconds
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable nb_step equal 223593
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+variable print_freq equal 224
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+Changing box ...
+ triclinic box = (0.027637912 0.027637912 -0.00050000000) to (0.072362088 0.072362088 0.00050000000) with tilt (0.0000000 0.0000000 0.0000000)
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+timestep 0.01
+
+fix 2 all deform 1 xy erate ${rate}
+fix 2 all deform 1 xy erate 4.47241758386386e-05
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+fix output_file all print 224 "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+run 223593
+Resetting global fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+Resetting peratom fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+All restart file global fix info was re-assigned
+All restart file peratom fix info was re-assigned
+Neighbor list info ...
+ update every 1 steps, delay 10 steps, check yes
+ max neighbors/atom: 2000, page size: 100000
+ master list distance cutoff = 0.0045
+ ghost atom cutoff = 0.0045
+ binsize = 0.00225, bins = 20 20 1
+ 1 neighbor lists, perpetual/occasional/extra = 1 0 0
+ (1) pair gran/hertz/history, perpetual
+ attributes: half, newton on, size, history
+ pair build: half/size/bin/newton/tri
+ stencil: half/bin/2d/tri
+ bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.981 | 9.981 | 9.981 Mbytes
+Step Atoms Lx Xy Pxy v_eps v_nb_step
+ 2000000 240 0.044724176 0 1944.6038 0 223593
+ 2005000 240 0.044724176 0.0001000126 -1638.2915 0.0022362088 223593
+ 2010000 240 0.044724176 0.00020002519 -5205.3446 0.0044724176 223593
+ 2015000 240 0.044724176 0.00030003779 -8747.5639 0.0067086264 223593
+ 2020000 240 0.044724176 0.00040005038 -12258.902 0.0089448352 223593
+ 2025000 240 0.044724176 0.00050006298 -15760.407 0.011181044 223593
+ 2030000 240 0.044724176 0.00060007557 -19244.228 0.013417253 223593
+ 2035000 240 0.044724176 0.00070008817 -22713.997 0.015653462 223593
+ 2040000 240 0.044724176 0.00080010076 -26164.649 0.01788967 223593
+ 2045000 240 0.044724176 0.00090011336 -29583.705 0.020125879 223593
+ 2050000 240 0.044724176 0.001000126 -32978.221 0.022362088 223593
+ 2055000 240 0.044724176 0.0011001385 -36333.352 0.024598297 223593
+ 2060000 240 0.044724176 0.0012001511 -39657.253 0.026834506 223593
+ 2065000 240 0.044724176 0.0013001637 -42970.178 0.029070714 223593
+ 2070000 240 0.044724176 0.0014001763 -46282.111 0.031306923 223593
+ 2075000 240 0.044724176 0.0015001889 -49604.663 0.033543132 223593
+ 2080000 240 0.044724176 0.0016002015 -52945.575 0.035779341 223593
+ 2085000 240 0.044724176 0.0017002141 -56297.13 0.038015549 223593
+ 2090000 240 0.044724176 0.0018002267 -59686.859 0.040251758 223593
+ 2095000 240 0.044724176 0.0019002393 -63125.233 0.042487967 223593
+ 2100000 240 0.044724176 0.0020002519 -66605.715 0.044724176 223593
+ 2105000 240 0.044724176 0.0021002645 -70129.758 0.046960385 223593
+ 2110000 240 0.044724176 0.0022002771 -73694.305 0.049196593 223593
+ 2115000 240 0.044724176 0.0023002897 -77304.454 0.051432802 223593
+ 2120000 240 0.044724176 0.0024003023 -80967.923 0.053669011 223593
+ 2125000 240 0.044724176 0.0025003149 -84691.029 0.05590522 223593
+ 2130000 240 0.044724176 0.0026003275 -88470.047 0.058141429 223593
+ 2135000 240 0.044724176 0.0027003401 -92302.825 0.060377637 223593
+ 2140000 240 0.044724176 0.0028003527 -96185.077 0.062613846 223593
+ 2145000 240 0.044724176 0.0029003653 -100119.89 0.064850055 223593
+ 2150000 240 0.044724176 0.0030003779 -104116.78 0.067086264 223593
+ 2155000 240 0.044724176 0.0031003905 -108170.81 0.069322473 223593
+ 2160000 240 0.044724176 0.003200403 -112276.48 0.071558681 223593
+ 2165000 240 0.044724176 0.0033004156 -116429.78 0.07379489 223593
+ 2170000 240 0.044724176 0.0034004282 -120628.23 0.076031099 223593
+ 2175000 240 0.044724176 0.0035004408 -124872.59 0.078267308 223593
+ 2180000 240 0.044724176 0.0036004534 -129164.56 0.080503517 223593
+ 2185000 240 0.044724176 0.003700466 -133502.18 0.082739725 223593
+ 2190000 240 0.044724176 0.0038004786 -137888.43 0.084975934 223593
+ 2195000 240 0.044724176 0.0039004912 -142318.52 0.087212143 223593
+ 2200000 240 0.044724176 0.0040005038 -146790.59 0.089448352 223593
+ 2205000 240 0.044724176 0.0041005164 -151306.1 0.09168456 223593
+ 2210000 240 0.044724176 0.004200529 -155864.44 0.093920769 223593
+ 2215000 240 0.044724176 0.0043005416 -160469.15 0.096156978 223593
+ 2220000 240 0.044724176 0.0044005542 -165113.84 0.098393187 223593
+ 2223593 240 0.044724176 0.0044724232 -168480.02 0.10000013 223593
+Loop time of 4.53269 on 1 procs for 223593 steps with 240 atoms
+
+99.3% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 3.2306 | 3.2306 | 3.2306 | 0.0 | 71.27
+Neigh | 0.00071955 | 0.00071955 | 0.00071955 | 0.0 | 0.02
+Comm | 0.50808 | 0.50808 | 0.50808 | 0.0 | 11.21
+Output | 0.0060587 | 0.0060587 | 0.0060587 | 0.0 | 0.13
+Modify | 0.57829 | 0.57829 | 0.57829 | 0.0 | 12.76
+Other | | 0.2089 | | | 4.61
+
+Nlocal: 240.000 ave 240 max 240 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost: 108.000 ave 108 max 108 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs: 695.000 ave 695 max 695 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 695
+Ave neighs/atom = 2.8958333
+Neighbor list builds = 17
+Dangerous builds = 0
+
+write_data box_sheared.data
+System init for write_data ...
+
+Total wall time: 0:00:04
diff --git a/DATASET/P=70000Pa/1_generate_conf_70000Pa.in b/DATASET/P=70000Pa/1_generate_conf_70000Pa.in
new file mode 100644
index 0000000..3886da1
--- /dev/null
+++ b/DATASET/P=70000Pa/1_generate_conf_70000Pa.in
@@ -0,0 +1,265 @@
+atom_style sphere
+atom_modify map array
+dimension 2
+boundary p p p
+newton off
+comm_modify vel yes
+units si
+
+region reg block 0.0 0.1 0 0.1 -0.0005 0.0005 units box
+variable confinement_pressure equal 70000
+
+# How many grain/atom types
+create_box 6 reg
+
+# Size of bins for more efficiently searching for grain contacts.
+neighbor 0.001 bin
+
+# Reconstruct the neighbor list without any delay, every time-step
+neigh_modify delay 0
+
+# Glass marbles, tangential force
+pair_style gran/hertz/history 36630036630.0 0.0 0.2 NULL 0.0 0
+
+pair_coeff * *
+
+timestep 1e-8
+
+fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
+
+# Particle insertion in regions
+
+region region_gouge_1 block 0.00 0.1 0.0000 0.0025 -0.0005 0.0005 units box
+region region_gouge_2 block 0.00 0.1 0.0025 0.0050 -0.0005 0.0005 units box
+region region_gouge_3 block 0.00 0.1 0.0050 0.0075 -0.0005 0.0005 units box
+region region_gouge_4 block 0.00 0.1 0.0075 0.0100 -0.0005 0.0005 units box
+region region_gouge_5 block 0.00 0.1 0.0100 0.0125 -0.0005 0.0005 units box
+region region_gouge_6 block 0.00 0.1 0.0125 0.0150 -0.0005 0.0005 units box
+region region_gouge_7 block 0.00 0.1 0.0150 0.0175 -0.0005 0.0005 units box
+region region_gouge_8 block 0.00 0.1 0.0175 0.0200 -0.0005 0.0005 units box
+region region_gouge_9 block 0.00 0.1 0.0200 0.0225 -0.0005 0.0005 units box
+region region_gouge_10 block 0.00 0.1 0.0225 0.0250 -0.0005 0.0005 units box
+region region_gouge_11 block 0.00 0.1 0.0250 0.0275 -0.0005 0.0005 units box
+region region_gouge_12 block 0.00 0.1 0.0275 0.0300 -0.0005 0.0005 units box
+region region_gouge_13 block 0.00 0.1 0.0300 0.0325 -0.0005 0.0005 units box
+region region_gouge_14 block 0.00 0.1 0.0325 0.0350 -0.0005 0.0005 units box
+region region_gouge_15 block 0.00 0.1 0.0350 0.0375 -0.0005 0.0005 units box
+region region_gouge_16 block 0.00 0.1 0.0375 0.0400 -0.0005 0.0005 units box
+region region_gouge_17 block 0.00 0.1 0.0400 0.0425 -0.0005 0.0005 units box
+region region_gouge_18 block 0.00 0.1 0.0425 0.0450 -0.0005 0.0005 units box
+region region_gouge_19 block 0.00 0.1 0.0450 0.0475 -0.0005 0.0005 units box
+region region_gouge_20 block 0.00 0.1 0.0475 0.0500 -0.0005 0.0005 units box
+region region_gouge_21 block 0.00 0.1 0.0500 0.0525 -0.0005 0.0005 units box
+region region_gouge_22 block 0.00 0.1 0.0525 0.0550 -0.0005 0.0005 units box
+region region_gouge_23 block 0.00 0.1 0.0550 0.0575 -0.0005 0.0005 units box
+region region_gouge_24 block 0.00 0.1 0.0575 0.0600 -0.0005 0.0005 units box
+region region_gouge_25 block 0.00 0.1 0.0600 0.0625 -0.0005 0.0005 units box
+region region_gouge_26 block 0.00 0.1 0.0625 0.0650 -0.0005 0.0005 units box
+region region_gouge_27 block 0.00 0.1 0.0650 0.0675 -0.0005 0.0005 units box
+region region_gouge_28 block 0.00 0.1 0.0675 0.0700 -0.0005 0.0005 units box
+region region_gouge_29 block 0.00 0.1 0.0700 0.0725 -0.0005 0.0005 units box
+region region_gouge_30 block 0.00 0.1 0.0725 0.0750 -0.0005 0.0005 units box
+region region_gouge_31 block 0.00 0.1 0.0750 0.0775 -0.0005 0.0005 units box
+region region_gouge_32 block 0.00 0.1 0.0775 0.0800 -0.0005 0.0005 units box
+region region_gouge_33 block 0.00 0.1 0.0800 0.0825 -0.0005 0.0005 units box
+region region_gouge_34 block 0.00 0.1 0.0825 0.0850 -0.0005 0.0005 units box
+region region_gouge_35 block 0.00 0.1 0.0850 0.0875 -0.0005 0.0005 units box
+region region_gouge_36 block 0.00 0.1 0.0875 0.0900 -0.0005 0.0005 units box
+region region_gouge_37 block 0.00 0.1 0.0900 0.0925 -0.0005 0.0005 units box
+region region_gouge_38 block 0.00 0.1 0.0925 0.0950 -0.0005 0.0005 units box
+region region_gouge_39 block 0.00 0.1 0.0950 0.0975 -0.0005 0.0005 units box
+region region_gouge_40 block 0.00 0.1 0.0975 0.1000 -0.0005 0.0005 units box
+
+group nve_group region region_gouge_1
+group nve_group region region_gouge_2
+group nve_group region region_gouge_3
+group nve_group region region_gouge_4
+group nve_group region region_gouge_5
+group nve_group region region_gouge_6
+group nve_group region region_gouge_7
+group nve_group region region_gouge_8
+group nve_group region region_gouge_9
+group nve_group region region_gouge_10
+group nve_group region region_gouge_11
+group nve_group region region_gouge_12
+group nve_group region region_gouge_13
+group nve_group region region_gouge_14
+group nve_group region region_gouge_15
+group nve_group region region_gouge_16
+group nve_group region region_gouge_17
+group nve_group region region_gouge_18
+group nve_group region region_gouge_19
+group nve_group region region_gouge_20
+group nve_group region region_gouge_21
+group nve_group region region_gouge_22
+group nve_group region region_gouge_23
+group nve_group region region_gouge_24
+group nve_group region region_gouge_25
+group nve_group region region_gouge_26
+group nve_group region region_gouge_27
+group nve_group region region_gouge_28
+group nve_group region region_gouge_29
+group nve_group region region_gouge_30
+group nve_group region region_gouge_31
+group nve_group region region_gouge_32
+group nve_group region region_gouge_33
+group nve_group region region_gouge_34
+group nve_group region region_gouge_35
+group nve_group region region_gouge_36
+group nve_group region region_gouge_37
+group nve_group region region_gouge_38
+group nve_group region region_gouge_39
+group nve_group region region_gouge_40
+
+fix ins_1 nve_group pour 50000 1 283 region region_gouge_1 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_2 nve_group pour 50000 1 958 region region_gouge_2 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_3 nve_group pour 50000 1 633 region region_gouge_3 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_4 nve_group pour 50000 1 628 region region_gouge_4 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_5 nve_group pour 50000 1 973 region region_gouge_5 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_6 nve_group pour 50000 1 745 region region_gouge_6 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_7 nve_group pour 50000 1 259 region region_gouge_7 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_8 nve_group pour 50000 1 359 region region_gouge_8 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_9 nve_group pour 50000 1 710 region region_gouge_9 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_10 nve_group pour 50000 1 456 region region_gouge_10 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_11 nve_group pour 50000 1 411 region region_gouge_11 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_12 nve_group pour 50000 1 649 region region_gouge_12 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_13 nve_group pour 50000 1 318 region region_gouge_13 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_14 nve_group pour 50000 1 677 region region_gouge_14 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_15 nve_group pour 50000 1 225 region region_gouge_15 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_16 nve_group pour 50000 1 819 region region_gouge_16 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_17 nve_group pour 50000 1 234 region region_gouge_17 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_18 nve_group pour 50000 1 684 region region_gouge_18 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_19 nve_group pour 50000 1 664 region region_gouge_19 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_20 nve_group pour 50000 1 975 region region_gouge_20 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_21 nve_group pour 50000 1 827 region region_gouge_21 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_22 nve_group pour 50000 1 374 region region_gouge_22 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_23 nve_group pour 50000 1 672 region region_gouge_23 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_24 nve_group pour 50000 1 608 region region_gouge_24 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_25 nve_group pour 50000 1 472 region region_gouge_25 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_26 nve_group pour 50000 1 233 region region_gouge_26 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_27 nve_group pour 50000 1 692 region region_gouge_27 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_28 nve_group pour 50000 1 113 region region_gouge_28 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_29 nve_group pour 50000 1 830 region region_gouge_29 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_30 nve_group pour 50000 1 497 region region_gouge_30 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_31 nve_group pour 50000 1 442 region region_gouge_31 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_32 nve_group pour 50000 1 564 region region_gouge_32 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_33 nve_group pour 50000 1 268 region region_gouge_33 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_34 nve_group pour 50000 1 510 region region_gouge_34 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_35 nve_group pour 50000 1 807 region region_gouge_35 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_36 nve_group pour 50000 1 386 region region_gouge_36 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_37 nve_group pour 50000 1 387 region region_gouge_37 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_38 nve_group pour 50000 1 113 region region_gouge_38 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_39 nve_group pour 50000 1 613 region region_gouge_39 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_40 nve_group pour 50000 1 625 region region_gouge_40 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+
+run 1
+
+set group nve_group density/disc 2.5
+fix integr nve_group nve/sphere disc
+fix makeit2d all enforce2d
+
+thermo 1
+thermo_modify lost ignore norm no
+
+# Unfix particle insertion
+
+unfix ins_1
+unfix ins_2
+unfix ins_3
+unfix ins_4
+unfix ins_5
+unfix ins_6
+unfix ins_7
+unfix ins_8
+unfix ins_9
+unfix ins_10
+unfix ins_11
+unfix ins_12
+unfix ins_13
+unfix ins_14
+unfix ins_15
+unfix ins_16
+unfix ins_17
+unfix ins_18
+unfix ins_19
+unfix ins_20
+unfix ins_21
+unfix ins_22
+unfix ins_23
+unfix ins_24
+unfix ins_25
+unfix ins_26
+unfix ins_27
+unfix ins_28
+unfix ins_29
+unfix ins_30
+unfix ins_31
+unfix ins_32
+unfix ins_33
+unfix ins_34
+unfix ins_35
+unfix ins_36
+unfix ins_37
+unfix ins_38
+unfix ins_39
+unfix ins_40
+
+run 100 upto
+
+# Set gouge layer grain density
+set group all density/disc 2.5
+
+# Apply NVE integration to all particles
+fix integr all nve/sphere disc
+
+# Output settings
+compute 1 all erotate/sphere
+compute 2 all contact/atom
+compute 3 all ke
+
+variable Sxx equal pxx
+variable Syy equal pyy
+variable TotalPressure equal (v_Sxx+v_Syy)/2.0
+
+thermo_style custom step atoms ke pxx pyy v_TotalPressure ly
+thermo 50000
+thermo_modify lost ignore norm no
+
+set group all density/disc 2.5
+
+# Stop the confining pressure once the pressure is superior to the desired pressure
+fix condition all halt 1 v_Syy > ${confinement_pressure} error continue
+fix def all deform 1 x erate -50 y erate -50 z erate 0
+
+run 1500000
+unfix def
+unfix condition
+
+run 10000
+
+# Check if the pressure does not decrease
+label loopa
+variable a loop 1000
+ label loopb
+ variable P equal pyy
+ variable b loop 1000
+ if "${P} > ${confinement_pressure}" then "jump SELF break"
+ fix def all deform 1 x erate -10 y erate -10 z erate 0
+ run 1000
+ unfix def
+ run 10000
+ next b
+ jump SELF loopb
+ label break
+ variable b delete
+if "${P} > ${confinement_pressure}" then "jump SELF break2"
+next a
+jump SELF loopa
+label break2
+print "Over"
+
+restart 1000000 confined.restart confined2.restart
+
+run 1000000
+
+write_data box_confined.data
\ No newline at end of file
diff --git a/DATASET/P=70000Pa/2_shear.in b/DATASET/P=70000Pa/2_shear.in
new file mode 100644
index 0000000..1547629
--- /dev/null
+++ b/DATASET/P=70000Pa/2_shear.in
@@ -0,0 +1,36 @@
+read_restart confined.restart
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+
+fix 2 all deform 1 xy erate ${rate}
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+
+write_data box_sheared.data
+
diff --git a/DATASET/P=70000Pa/StrainStress.txt b/DATASET/P=70000Pa/StrainStress.txt
new file mode 100644
index 0000000..afe0932
--- /dev/null
+++ b/DATASET/P=70000Pa/StrainStress.txt
@@ -0,0 +1,999 @@
+# Fix print output for fix output_file
+4.28035179683914e-05 2446.0074320282492408
+0.000142972575481931 2287.8098801178844042
+0.000243141632995471 2129.6136596102728618
+0.000343310690509169 1971.4268250452430493
+0.000443479748022708 1813.2547506496355254
+0.000543648805536248 1655.1020988622071854
+0.000643817863049788 1496.9733357773582156
+0.000743986920563486 1338.8687892196401208
+0.000844155978077026 1180.7713227911074227
+0.000944325035590566 1022.6795991410704119
+0.00104449409310411 864.58011774778333347
+0.0011446631506178 706.51103897137443255
+0.00124483220813134 548.4785230358888839
+0.00134500126564488 390.43957101936013032
+0.00144517032315842 232.35833284407664223
+0.00154533938067212 74.288941209941597776
+0.00164550843818566 -83.779216624621483334
+0.0017456774956992 -241.86771468678986707
+0.00184584655321274 -399.97626840245919766
+0.00194601561072644 -558.1269265775548547
+0.00204618466823998 -716.26328481594066488
+0.00214635372575352 -874.45134422337184787
+0.00224652278326706 -1032.7029379785171841
+0.00234669184078075 -1190.9975390524641625
+0.00244686089829429 -1349.3266419511548975
+0.00254702995580783 -1507.6874560444109648
+0.00264719901332137 -1666.0777053269757744
+0.00274736807083507 -1824.6081046393207998
+0.00284753712834861 -1983.2373494476323685
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+0.00304787524337569 -2300.7996720260489383
+0.00314804430088939 -2459.6883761978592702
+0.00324821335840293 -2618.6196996161288553
+0.00334838241591647 -2777.5757314289858186
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diff --git a/DATASET/P=70000Pa/box_confined.data b/DATASET/P=70000Pa/box_confined.data
new file mode 100644
index 0000000..abd6f4d
--- /dev/null
+++ b/DATASET/P=70000Pa/box_confined.data
@@ -0,0 +1,494 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2400344
+
+240 atoms
+6 atom types
+
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+0.027936330944145514 0.07206366905585453 ylo yhi
+-0.0005 0.0005 zlo zhi
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diff --git a/DATASET/P=70000Pa/box_sheared.data b/DATASET/P=70000Pa/box_sheared.data
new file mode 100644
index 0000000..661520e
--- /dev/null
+++ b/DATASET/P=70000Pa/box_sheared.data
@@ -0,0 +1,495 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2226617
+
+240 atoms
+6 atom types
+
+0.027936330944145514 0.07206366905585453 xlo xhi
+0.027936330944145514 0.07206366905585453 ylo yhi
+-0.0005 0.0005 zlo zhi
+0.004412736009092345 0 0 xy xz yz
+
+Atoms # sphere
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+222 -32.3316852467386 -0.3225678425493027 0 0 0 0
+229 39.44356183638169 12.312192897696645 0 0 0 0
+231 11.68307516571304 -6.66826953625744 0 0 0 0
diff --git a/DATASET/P=70000Pa/confined.restart b/DATASET/P=70000Pa/confined.restart
new file mode 100644
index 0000000..7ecb97a
Binary files /dev/null and b/DATASET/P=70000Pa/confined.restart differ
diff --git a/DATASET/P=70000Pa/log.lammps b/DATASET/P=70000Pa/log.lammps
new file mode 100644
index 0000000..27a2fd7
--- /dev/null
+++ b/DATASET/P=70000Pa/log.lammps
@@ -0,0 +1,149 @@
+LAMMPS (29 Sep 2021 - Update 3)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
+ using 1 OpenMP thread(s) per MPI task
+read_restart confined.restart
+Reading restart file ...
+ restart file = 29 Sep 2021, LAMMPS = 29 Sep 2021
+ restoring atom style sphere from restart
+ orthogonal box = (0.027936331 0.027936331 -0.00050000000) to (0.072063669 0.072063669 0.00050000000)
+ 1 by 1 by 1 MPI processor grid
+ restoring pair style gran/hertz/history from restart
+ 240 atoms
+ read_restart CPU = 0.001 seconds
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable nb_step equal 226617
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+variable print_freq equal 227
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+Changing box ...
+ triclinic box = (0.027936331 0.027936331 -0.00050000000) to (0.072063669 0.072063669 0.00050000000) with tilt (0.0000000 0.0000000 0.0000000)
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+timestep 0.01
+
+fix 2 all deform 1 xy erate ${rate}
+fix 2 all deform 1 xy erate 4.4127338111709e-05
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+fix output_file all print 227 "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+run 226617
+Resetting global fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+Resetting peratom fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+All restart file global fix info was re-assigned
+All restart file peratom fix info was re-assigned
+Neighbor list info ...
+ update every 1 steps, delay 10 steps, check yes
+ max neighbors/atom: 2000, page size: 100000
+ master list distance cutoff = 0.0045
+ ghost atom cutoff = 0.0045
+ binsize = 0.00225, bins = 20 20 1
+ 1 neighbor lists, perpetual/occasional/extra = 1 0 0
+ (1) pair gran/hertz/history, perpetual
+ attributes: half, newton on, size, history
+ pair build: half/size/bin/newton/tri
+ stencil: half/bin/2d/tri
+ bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.981 | 9.981 | 9.981 Mbytes
+Step Atoms Lx Xy Pxy v_eps v_nb_step
+ 2000000 240 0.044127338 0 2512.9073 0 226617
+ 2005000 240 0.044127338 9.7361098e-05 -969.25677 0.0022063669 226617
+ 2010000 240 0.044127338 0.0001947222 -4468.4736 0.0044127338 226617
+ 2015000 240 0.044127338 0.0002920833 -7982.177 0.0066191007 226617
+ 2020000 240 0.044127338 0.00038944439 -11523.806 0.0088254676 226617
+ 2025000 240 0.044127338 0.00048680549 -15085.685 0.011031835 226617
+ 2030000 240 0.044127338 0.00058416659 -18658.63 0.013238201 226617
+ 2035000 240 0.044127338 0.00068152769 -22233.614 0.015444568 226617
+ 2040000 240 0.044127338 0.00077888879 -25811.68 0.017650935 226617
+ 2045000 240 0.044127338 0.00087624989 -29387.035 0.019857302 226617
+ 2050000 240 0.044127338 0.00097361098 -32955.703 0.022063669 226617
+ 2055000 240 0.044127338 0.0010709721 -36523.785 0.024270036 226617
+ 2060000 240 0.044127338 0.0011683332 -40084.082 0.026476403 226617
+ 2065000 240 0.044127338 0.0012656943 -43654.833 0.02868277 226617
+ 2070000 240 0.044127338 0.0013630554 -47230.141 0.030889137 226617
+ 2075000 240 0.044127338 0.0014604165 -50801.663 0.033095504 226617
+ 2080000 240 0.044127338 0.0015577776 -54379.662 0.03530187 226617
+ 2085000 240 0.044127338 0.0016551387 -57964.25 0.037508237 226617
+ 2090000 240 0.044127338 0.0017524998 -61574.632 0.039714604 226617
+ 2095000 240 0.044127338 0.0018498609 -65221.576 0.041920971 226617
+ 2100000 240 0.044127338 0.001947222 -68897.579 0.044127338 226617
+ 2105000 240 0.044127338 0.0020445831 -72590.216 0.046333705 226617
+ 2110000 240 0.044127338 0.0021419442 -76315.697 0.048540072 226617
+ 2115000 240 0.044127338 0.0022393053 -80087.467 0.050746439 226617
+ 2120000 240 0.044127338 0.0023366664 -83910.842 0.052952806 226617
+ 2125000 240 0.044127338 0.0024340275 -87778.05 0.055159173 226617
+ 2130000 240 0.044127338 0.0025313886 -91687.365 0.05736554 226617
+ 2135000 240 0.044127338 0.0026287497 -95639.789 0.059571906 226617
+ 2140000 240 0.044127338 0.0027261108 -99632.532 0.061778273 226617
+ 2145000 240 0.044127338 0.0028234719 -103665.84 0.06398464 226617
+ 2150000 240 0.044127338 0.002920833 -107735.85 0.066191007 226617
+ 2155000 240 0.044127338 0.0030181941 -111843.42 0.068397374 226617
+ 2160000 240 0.044127338 0.0031155552 -115987.37 0.070603741 226617
+ 2165000 240 0.044127338 0.0032129162 -120168.93 0.072810108 226617
+ 2170000 240 0.044127338 0.0033102773 -124387.02 0.075016475 226617
+ 2175000 240 0.044127338 0.0034076384 -128648.01 0.077222842 226617
+ 2180000 240 0.044127338 0.0035049995 -132952.11 0.079429209 226617
+ 2185000 240 0.044127338 0.0036023606 -137302.49 0.081635576 226617
+ 2190000 240 0.044127338 0.0036997217 -141696.67 0.083841942 226617
+ 2195000 240 0.044127338 0.0037970828 -146129.92 0.086048309 226617
+ 2200000 240 0.044127338 0.0038944439 -150601.23 0.088254676 226617
+ 2205000 240 0.044127338 0.003991805 -155111.15 0.090461043 226617
+ 2210000 240 0.044127338 0.0040891661 -159657.48 0.09266741 226617
+ 2215000 240 0.044127338 0.0041865272 -164240.43 0.094873777 226617
+ 2220000 240 0.044127338 0.0042838883 -168857.46 0.097080144 226617
+ 2225000 240 0.044127338 0.0043812494 -173506.68 0.099286511 226617
+ 2226617 240 0.044127338 0.004412736 -175016.78 0.10000005 226617
+Loop time of 5.26269 on 1 procs for 226617 steps with 240 atoms
+
+98.9% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 3.767 | 3.767 | 3.767 | 0.0 | 71.58
+Neigh | 0.00080276 | 0.00080276 | 0.00080276 | 0.0 | 0.02
+Comm | 0.61115 | 0.61115 | 0.61115 | 0.0 | 11.61
+Output | 0.0070026 | 0.0070026 | 0.0070026 | 0.0 | 0.13
+Modify | 0.6441 | 0.6441 | 0.6441 | 0.0 | 12.24
+Other | | 0.2327 | | | 4.42
+
+Nlocal: 240.000 ave 240 max 240 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost: 123.000 ave 123 max 123 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs: 701.000 ave 701 max 701 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 701
+Ave neighs/atom = 2.9208333
+Neighbor list builds = 17
+Dangerous builds = 0
+
+write_data box_sheared.data
+System init for write_data ...
+
+Total wall time: 0:00:05
diff --git a/DATASET/P=80000Pa/1_generate_conf_80000Pa.in b/DATASET/P=80000Pa/1_generate_conf_80000Pa.in
new file mode 100644
index 0000000..ca34408
--- /dev/null
+++ b/DATASET/P=80000Pa/1_generate_conf_80000Pa.in
@@ -0,0 +1,265 @@
+atom_style sphere
+atom_modify map array
+dimension 2
+boundary p p p
+newton off
+comm_modify vel yes
+units si
+
+region reg block 0.0 0.1 0 0.1 -0.0005 0.0005 units box
+variable confinement_pressure equal 80000
+
+# How many grain/atom types
+create_box 6 reg
+
+# Size of bins for more efficiently searching for grain contacts.
+neighbor 0.001 bin
+
+# Reconstruct the neighbor list without any delay, every time-step
+neigh_modify delay 0
+
+# Glass marbles, tangential force
+pair_style gran/hertz/history 36630036630.0 0.0 0.2 NULL 0.0 0
+
+pair_coeff * *
+
+timestep 1e-8
+
+fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
+
+# Particle insertion in regions
+
+region region_gouge_1 block 0.00 0.1 0.0000 0.0025 -0.0005 0.0005 units box
+region region_gouge_2 block 0.00 0.1 0.0025 0.0050 -0.0005 0.0005 units box
+region region_gouge_3 block 0.00 0.1 0.0050 0.0075 -0.0005 0.0005 units box
+region region_gouge_4 block 0.00 0.1 0.0075 0.0100 -0.0005 0.0005 units box
+region region_gouge_5 block 0.00 0.1 0.0100 0.0125 -0.0005 0.0005 units box
+region region_gouge_6 block 0.00 0.1 0.0125 0.0150 -0.0005 0.0005 units box
+region region_gouge_7 block 0.00 0.1 0.0150 0.0175 -0.0005 0.0005 units box
+region region_gouge_8 block 0.00 0.1 0.0175 0.0200 -0.0005 0.0005 units box
+region region_gouge_9 block 0.00 0.1 0.0200 0.0225 -0.0005 0.0005 units box
+region region_gouge_10 block 0.00 0.1 0.0225 0.0250 -0.0005 0.0005 units box
+region region_gouge_11 block 0.00 0.1 0.0250 0.0275 -0.0005 0.0005 units box
+region region_gouge_12 block 0.00 0.1 0.0275 0.0300 -0.0005 0.0005 units box
+region region_gouge_13 block 0.00 0.1 0.0300 0.0325 -0.0005 0.0005 units box
+region region_gouge_14 block 0.00 0.1 0.0325 0.0350 -0.0005 0.0005 units box
+region region_gouge_15 block 0.00 0.1 0.0350 0.0375 -0.0005 0.0005 units box
+region region_gouge_16 block 0.00 0.1 0.0375 0.0400 -0.0005 0.0005 units box
+region region_gouge_17 block 0.00 0.1 0.0400 0.0425 -0.0005 0.0005 units box
+region region_gouge_18 block 0.00 0.1 0.0425 0.0450 -0.0005 0.0005 units box
+region region_gouge_19 block 0.00 0.1 0.0450 0.0475 -0.0005 0.0005 units box
+region region_gouge_20 block 0.00 0.1 0.0475 0.0500 -0.0005 0.0005 units box
+region region_gouge_21 block 0.00 0.1 0.0500 0.0525 -0.0005 0.0005 units box
+region region_gouge_22 block 0.00 0.1 0.0525 0.0550 -0.0005 0.0005 units box
+region region_gouge_23 block 0.00 0.1 0.0550 0.0575 -0.0005 0.0005 units box
+region region_gouge_24 block 0.00 0.1 0.0575 0.0600 -0.0005 0.0005 units box
+region region_gouge_25 block 0.00 0.1 0.0600 0.0625 -0.0005 0.0005 units box
+region region_gouge_26 block 0.00 0.1 0.0625 0.0650 -0.0005 0.0005 units box
+region region_gouge_27 block 0.00 0.1 0.0650 0.0675 -0.0005 0.0005 units box
+region region_gouge_28 block 0.00 0.1 0.0675 0.0700 -0.0005 0.0005 units box
+region region_gouge_29 block 0.00 0.1 0.0700 0.0725 -0.0005 0.0005 units box
+region region_gouge_30 block 0.00 0.1 0.0725 0.0750 -0.0005 0.0005 units box
+region region_gouge_31 block 0.00 0.1 0.0750 0.0775 -0.0005 0.0005 units box
+region region_gouge_32 block 0.00 0.1 0.0775 0.0800 -0.0005 0.0005 units box
+region region_gouge_33 block 0.00 0.1 0.0800 0.0825 -0.0005 0.0005 units box
+region region_gouge_34 block 0.00 0.1 0.0825 0.0850 -0.0005 0.0005 units box
+region region_gouge_35 block 0.00 0.1 0.0850 0.0875 -0.0005 0.0005 units box
+region region_gouge_36 block 0.00 0.1 0.0875 0.0900 -0.0005 0.0005 units box
+region region_gouge_37 block 0.00 0.1 0.0900 0.0925 -0.0005 0.0005 units box
+region region_gouge_38 block 0.00 0.1 0.0925 0.0950 -0.0005 0.0005 units box
+region region_gouge_39 block 0.00 0.1 0.0950 0.0975 -0.0005 0.0005 units box
+region region_gouge_40 block 0.00 0.1 0.0975 0.1000 -0.0005 0.0005 units box
+
+group nve_group region region_gouge_1
+group nve_group region region_gouge_2
+group nve_group region region_gouge_3
+group nve_group region region_gouge_4
+group nve_group region region_gouge_5
+group nve_group region region_gouge_6
+group nve_group region region_gouge_7
+group nve_group region region_gouge_8
+group nve_group region region_gouge_9
+group nve_group region region_gouge_10
+group nve_group region region_gouge_11
+group nve_group region region_gouge_12
+group nve_group region region_gouge_13
+group nve_group region region_gouge_14
+group nve_group region region_gouge_15
+group nve_group region region_gouge_16
+group nve_group region region_gouge_17
+group nve_group region region_gouge_18
+group nve_group region region_gouge_19
+group nve_group region region_gouge_20
+group nve_group region region_gouge_21
+group nve_group region region_gouge_22
+group nve_group region region_gouge_23
+group nve_group region region_gouge_24
+group nve_group region region_gouge_25
+group nve_group region region_gouge_26
+group nve_group region region_gouge_27
+group nve_group region region_gouge_28
+group nve_group region region_gouge_29
+group nve_group region region_gouge_30
+group nve_group region region_gouge_31
+group nve_group region region_gouge_32
+group nve_group region region_gouge_33
+group nve_group region region_gouge_34
+group nve_group region region_gouge_35
+group nve_group region region_gouge_36
+group nve_group region region_gouge_37
+group nve_group region region_gouge_38
+group nve_group region region_gouge_39
+group nve_group region region_gouge_40
+
+fix ins_1 nve_group pour 50000 1 952 region region_gouge_1 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_2 nve_group pour 50000 1 81 region region_gouge_2 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_3 nve_group pour 50000 1 699 region region_gouge_3 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_4 nve_group pour 50000 1 113 region region_gouge_4 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_5 nve_group pour 50000 1 2 region region_gouge_5 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_6 nve_group pour 50000 1 642 region region_gouge_6 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_7 nve_group pour 50000 1 220 region region_gouge_7 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_8 nve_group pour 50000 1 566 region region_gouge_8 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_9 nve_group pour 50000 1 855 region region_gouge_9 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_10 nve_group pour 50000 1 997 region region_gouge_10 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_11 nve_group pour 50000 1 736 region region_gouge_11 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_12 nve_group pour 50000 1 225 region region_gouge_12 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_13 nve_group pour 50000 1 385 region region_gouge_13 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_14 nve_group pour 50000 1 403 region region_gouge_14 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_15 nve_group pour 50000 1 638 region region_gouge_15 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_16 nve_group pour 50000 1 130 region region_gouge_16 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_17 nve_group pour 50000 1 53 region region_gouge_17 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_18 nve_group pour 50000 1 684 region region_gouge_18 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_19 nve_group pour 50000 1 730 region region_gouge_19 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_20 nve_group pour 50000 1 672 region region_gouge_20 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_21 nve_group pour 50000 1 710 region region_gouge_21 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_22 nve_group pour 50000 1 416 region region_gouge_22 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_23 nve_group pour 50000 1 247 region region_gouge_23 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_24 nve_group pour 50000 1 836 region region_gouge_24 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_25 nve_group pour 50000 1 439 region region_gouge_25 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_26 nve_group pour 50000 1 203 region region_gouge_26 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_27 nve_group pour 50000 1 184 region region_gouge_27 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_28 nve_group pour 50000 1 123 region region_gouge_28 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_29 nve_group pour 50000 1 401 region region_gouge_29 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_30 nve_group pour 50000 1 767 region region_gouge_30 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_31 nve_group pour 50000 1 294 region region_gouge_31 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_32 nve_group pour 50000 1 280 region region_gouge_32 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_33 nve_group pour 50000 1 837 region region_gouge_33 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_34 nve_group pour 50000 1 884 region region_gouge_34 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_35 nve_group pour 50000 1 610 region region_gouge_35 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_36 nve_group pour 50000 1 198 region region_gouge_36 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_37 nve_group pour 50000 1 982 region region_gouge_37 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_38 nve_group pour 50000 1 907 region region_gouge_38 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_39 nve_group pour 50000 1 511 region region_gouge_39 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_40 nve_group pour 50000 1 752 region region_gouge_40 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+
+run 1
+
+set group nve_group density/disc 2.5
+fix integr nve_group nve/sphere disc
+fix makeit2d all enforce2d
+
+thermo 1
+thermo_modify lost ignore norm no
+
+# Unfix particle insertion
+
+unfix ins_1
+unfix ins_2
+unfix ins_3
+unfix ins_4
+unfix ins_5
+unfix ins_6
+unfix ins_7
+unfix ins_8
+unfix ins_9
+unfix ins_10
+unfix ins_11
+unfix ins_12
+unfix ins_13
+unfix ins_14
+unfix ins_15
+unfix ins_16
+unfix ins_17
+unfix ins_18
+unfix ins_19
+unfix ins_20
+unfix ins_21
+unfix ins_22
+unfix ins_23
+unfix ins_24
+unfix ins_25
+unfix ins_26
+unfix ins_27
+unfix ins_28
+unfix ins_29
+unfix ins_30
+unfix ins_31
+unfix ins_32
+unfix ins_33
+unfix ins_34
+unfix ins_35
+unfix ins_36
+unfix ins_37
+unfix ins_38
+unfix ins_39
+unfix ins_40
+
+run 100 upto
+
+# Set gouge layer grain density
+set group all density/disc 2.5
+
+# Apply NVE integration to all particles
+fix integr all nve/sphere disc
+
+# Output settings
+compute 1 all erotate/sphere
+compute 2 all contact/atom
+compute 3 all ke
+
+variable Sxx equal pxx
+variable Syy equal pyy
+variable TotalPressure equal (v_Sxx+v_Syy)/2.0
+
+thermo_style custom step atoms ke pxx pyy v_TotalPressure ly
+thermo 50000
+thermo_modify lost ignore norm no
+
+set group all density/disc 2.5
+
+# Stop the confining pressure once the pressure is superior to the desired pressure
+fix condition all halt 1 v_Syy > ${confinement_pressure} error continue
+fix def all deform 1 x erate -50 y erate -50 z erate 0
+
+run 1500000
+unfix def
+unfix condition
+
+run 10000
+
+# Check if the pressure does not decrease
+label loopa
+variable a loop 1000
+ label loopb
+ variable P equal pyy
+ variable b loop 1000
+ if "${P} > ${confinement_pressure}" then "jump SELF break"
+ fix def all deform 1 x erate -10 y erate -10 z erate 0
+ run 1000
+ unfix def
+ run 10000
+ next b
+ jump SELF loopb
+ label break
+ variable b delete
+if "${P} > ${confinement_pressure}" then "jump SELF break2"
+next a
+jump SELF loopa
+label break2
+print "Over"
+
+restart 1000000 confined.restart confined2.restart
+
+run 1000000
+
+write_data box_confined.data
\ No newline at end of file
diff --git a/DATASET/P=80000Pa/2_shear.in b/DATASET/P=80000Pa/2_shear.in
new file mode 100644
index 0000000..1547629
--- /dev/null
+++ b/DATASET/P=80000Pa/2_shear.in
@@ -0,0 +1,36 @@
+read_restart confined.restart
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+
+fix 2 all deform 1 xy erate ${rate}
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+
+write_data box_sheared.data
+
diff --git a/DATASET/P=80000Pa/StrainStress.txt b/DATASET/P=80000Pa/StrainStress.txt
new file mode 100644
index 0000000..86e867e
--- /dev/null
+++ b/DATASET/P=80000Pa/StrainStress.txt
@@ -0,0 +1,1000 @@
+# Fix print output for fix output_file
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diff --git a/DATASET/P=80000Pa/box_confined.data b/DATASET/P=80000Pa/box_confined.data
new file mode 100644
index 0000000..f908f7d
--- /dev/null
+++ b/DATASET/P=80000Pa/box_confined.data
@@ -0,0 +1,494 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2196725
+
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diff --git a/DATASET/P=80000Pa/box_sheared.data b/DATASET/P=80000Pa/box_sheared.data
new file mode 100644
index 0000000..3a7be77
--- /dev/null
+++ b/DATASET/P=80000Pa/box_sheared.data
@@ -0,0 +1,495 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2224782
+
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diff --git a/DATASET/P=80000Pa/confined.restart b/DATASET/P=80000Pa/confined.restart
new file mode 100644
index 0000000..4ecc661
Binary files /dev/null and b/DATASET/P=80000Pa/confined.restart differ
diff --git a/DATASET/P=80000Pa/log.lammps b/DATASET/P=80000Pa/log.lammps
new file mode 100644
index 0000000..c4f6928
--- /dev/null
+++ b/DATASET/P=80000Pa/log.lammps
@@ -0,0 +1,148 @@
+LAMMPS (29 Sep 2021 - Update 3)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
+ using 1 OpenMP thread(s) per MPI task
+read_restart confined.restart
+Reading restart file ...
+ restart file = 29 Sep 2021, LAMMPS = 29 Sep 2021
+ restoring atom style sphere from restart
+ orthogonal box = (0.027756202 0.027756202 -0.00050000000) to (0.072243798 0.072243798 0.00050000000)
+ 1 by 1 by 1 MPI processor grid
+ restoring pair style gran/hertz/history from restart
+ 240 atoms
+ read_restart CPU = 0.001 seconds
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable nb_step equal 224782
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+variable print_freq equal 225
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+Changing box ...
+ triclinic box = (0.027756202 0.027756202 -0.00050000000) to (0.072243798 0.072243798 0.00050000000) with tilt (0.0000000 0.0000000 0.0000000)
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+timestep 0.01
+
+fix 2 all deform 1 xy erate ${rate}
+fix 2 all deform 1 xy erate 4.44875962223795e-05
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+fix output_file all print 225 "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+run 224782
+Resetting global fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+Resetting peratom fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+All restart file global fix info was re-assigned
+All restart file peratom fix info was re-assigned
+Neighbor list info ...
+ update every 1 steps, delay 10 steps, check yes
+ max neighbors/atom: 2000, page size: 100000
+ master list distance cutoff = 0.0045
+ ghost atom cutoff = 0.0045
+ binsize = 0.00225, bins = 20 20 1
+ 1 neighbor lists, perpetual/occasional/extra = 1 0 0
+ (1) pair gran/hertz/history, perpetual
+ attributes: half, newton on, size, history
+ pair build: half/size/bin/newton/tri
+ stencil: half/bin/2d/tri
+ bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.981 | 9.981 | 9.981 Mbytes
+Step Atoms Lx Xy Pxy v_eps v_nb_step
+ 2000000 240 0.044487596 0 3424.0255 0 224782
+ 2005000 240 0.044487596 9.8957311e-05 -481.69738 0.0022243798 224782
+ 2010000 240 0.044487596 0.00019791462 -4399.8604 0.0044487596 224782
+ 2015000 240 0.044487596 0.00029687193 -8331.9386 0.0066731394 224782
+ 2020000 240 0.044487596 0.00039582924 -12271.719 0.0088975192 224782
+ 2025000 240 0.044487596 0.00049478655 -16210.756 0.011121899 224782
+ 2030000 240 0.044487596 0.00059374387 -20149.376 0.013346279 224782
+ 2035000 240 0.044487596 0.00069270118 -24092.748 0.015570659 224782
+ 2040000 240 0.044487596 0.00079165849 -28030.038 0.017795038 224782
+ 2045000 240 0.044487596 0.0008906158 -31979.481 0.020019418 224782
+ 2050000 240 0.044487596 0.00098957311 -35923.076 0.022243798 224782
+ 2055000 240 0.044487596 0.0010885304 -39843.81 0.024468178 224782
+ 2060000 240 0.044487596 0.0011874877 -43764.646 0.026692558 224782
+ 2065000 240 0.044487596 0.001286445 -47675.665 0.028916938 224782
+ 2070000 240 0.044487596 0.0013854024 -51564.702 0.031141317 224782
+ 2075000 240 0.044487596 0.0014843597 -55444.376 0.033365697 224782
+ 2080000 240 0.044487596 0.001583317 -59328.189 0.035590077 224782
+ 2085000 240 0.044487596 0.0016822743 -63210.821 0.037814457 224782
+ 2090000 240 0.044487596 0.0017812316 -67101.967 0.040038837 224782
+ 2095000 240 0.044487596 0.0018801889 -71012.755 0.042263216 224782
+ 2100000 240 0.044487596 0.0019791462 -74951.019 0.044487596 224782
+ 2105000 240 0.044487596 0.0020781035 -78930.037 0.046711976 224782
+ 2110000 240 0.044487596 0.0021770608 -82948.369 0.048936356 224782
+ 2115000 240 0.044487596 0.0022760182 -86998.681 0.051160736 224782
+ 2120000 240 0.044487596 0.0023749755 -91096.612 0.053385115 224782
+ 2125000 240 0.044487596 0.0024739328 -95245.012 0.055609495 224782
+ 2130000 240 0.044487596 0.0025728901 -99443.183 0.057833875 224782
+ 2135000 240 0.044487596 0.0026718474 -103688.63 0.060058255 224782
+ 2140000 240 0.044487596 0.0027708047 -107978.81 0.062282635 224782
+ 2145000 240 0.044487596 0.002869762 -112307.39 0.064507015 224782
+ 2150000 240 0.044487596 0.0029687193 -116677.44 0.066731394 224782
+ 2155000 240 0.044487596 0.0030676766 -121089.54 0.068955774 224782
+ 2160000 240 0.044487596 0.0031666339 -125541.58 0.071180154 224782
+ 2165000 240 0.044487596 0.0032655913 -130030.22 0.073404534 224782
+ 2170000 240 0.044487596 0.0033645486 -134561.5 0.075628914 224782
+ 2175000 240 0.044487596 0.0034635059 -139136.99 0.077853293 224782
+ 2180000 240 0.044487596 0.0035624632 -143747.18 0.080077673 224782
+ 2185000 240 0.044487596 0.0036614205 -148396.98 0.082302053 224782
+ 2190000 240 0.044487596 0.0037603778 -153089.45 0.084526433 224782
+ 2195000 240 0.044487596 0.0038593351 -157822.96 0.086750813 224782
+ 2200000 240 0.044487596 0.0039582924 -162597.32 0.088975192 224782
+ 2205000 240 0.044487596 0.0040572497 -167418.46 0.091199572 224782
+ 2210000 240 0.044487596 0.0041562071 -172284.59 0.093423952 224782
+ 2215000 240 0.044487596 0.0042551644 -177190.28 0.095648332 224782
+ 2220000 240 0.044487596 0.0043541217 -182132.35 0.097872712 224782
+ 2224782 240 0.044487596 0.0044487645 -186891.07 0.10000011 224782
+Loop time of 4.89495 on 1 procs for 224782 steps with 240 atoms
+
+99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 3.6142 | 3.6142 | 3.6142 | 0.0 | 73.84
+Neigh | 0.00071168 | 0.00071168 | 0.00071168 | 0.0 | 0.01
+Comm | 0.50048 | 0.50048 | 0.50048 | 0.0 | 10.22
+Output | 0.005923 | 0.005923 | 0.005923 | 0.0 | 0.12
+Modify | 0.56646 | 0.56646 | 0.56646 | 0.0 | 11.57
+Other | | 0.2072 | | | 4.23
+
+Nlocal: 240.000 ave 240 max 240 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost: 106.000 ave 106 max 106 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs: 700.000 ave 700 max 700 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 700
+Ave neighs/atom = 2.9166667
+Neighbor list builds = 17
+Dangerous builds = 0
+
+write_data box_sheared.data
+System init for write_data ...
+
+Total wall time: 0:00:04
diff --git a/DATASET/P=90000Pa/1_generate_conf_90000Pa.in b/DATASET/P=90000Pa/1_generate_conf_90000Pa.in
new file mode 100644
index 0000000..611a8af
--- /dev/null
+++ b/DATASET/P=90000Pa/1_generate_conf_90000Pa.in
@@ -0,0 +1,265 @@
+atom_style sphere
+atom_modify map array
+dimension 2
+boundary p p p
+newton off
+comm_modify vel yes
+units si
+
+region reg block 0.0 0.1 0 0.1 -0.0005 0.0005 units box
+variable confinement_pressure equal 90000
+
+# How many grain/atom types
+create_box 6 reg
+
+# Size of bins for more efficiently searching for grain contacts.
+neighbor 0.001 bin
+
+# Reconstruct the neighbor list without any delay, every time-step
+neigh_modify delay 0
+
+# Glass marbles, tangential force
+pair_style gran/hertz/history 36630036630.0 0.0 0.2 NULL 0.0 0
+
+pair_coeff * *
+
+timestep 1e-8
+
+fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
+
+# Particle insertion in regions
+
+region region_gouge_1 block 0.00 0.1 0.0000 0.0025 -0.0005 0.0005 units box
+region region_gouge_2 block 0.00 0.1 0.0025 0.0050 -0.0005 0.0005 units box
+region region_gouge_3 block 0.00 0.1 0.0050 0.0075 -0.0005 0.0005 units box
+region region_gouge_4 block 0.00 0.1 0.0075 0.0100 -0.0005 0.0005 units box
+region region_gouge_5 block 0.00 0.1 0.0100 0.0125 -0.0005 0.0005 units box
+region region_gouge_6 block 0.00 0.1 0.0125 0.0150 -0.0005 0.0005 units box
+region region_gouge_7 block 0.00 0.1 0.0150 0.0175 -0.0005 0.0005 units box
+region region_gouge_8 block 0.00 0.1 0.0175 0.0200 -0.0005 0.0005 units box
+region region_gouge_9 block 0.00 0.1 0.0200 0.0225 -0.0005 0.0005 units box
+region region_gouge_10 block 0.00 0.1 0.0225 0.0250 -0.0005 0.0005 units box
+region region_gouge_11 block 0.00 0.1 0.0250 0.0275 -0.0005 0.0005 units box
+region region_gouge_12 block 0.00 0.1 0.0275 0.0300 -0.0005 0.0005 units box
+region region_gouge_13 block 0.00 0.1 0.0300 0.0325 -0.0005 0.0005 units box
+region region_gouge_14 block 0.00 0.1 0.0325 0.0350 -0.0005 0.0005 units box
+region region_gouge_15 block 0.00 0.1 0.0350 0.0375 -0.0005 0.0005 units box
+region region_gouge_16 block 0.00 0.1 0.0375 0.0400 -0.0005 0.0005 units box
+region region_gouge_17 block 0.00 0.1 0.0400 0.0425 -0.0005 0.0005 units box
+region region_gouge_18 block 0.00 0.1 0.0425 0.0450 -0.0005 0.0005 units box
+region region_gouge_19 block 0.00 0.1 0.0450 0.0475 -0.0005 0.0005 units box
+region region_gouge_20 block 0.00 0.1 0.0475 0.0500 -0.0005 0.0005 units box
+region region_gouge_21 block 0.00 0.1 0.0500 0.0525 -0.0005 0.0005 units box
+region region_gouge_22 block 0.00 0.1 0.0525 0.0550 -0.0005 0.0005 units box
+region region_gouge_23 block 0.00 0.1 0.0550 0.0575 -0.0005 0.0005 units box
+region region_gouge_24 block 0.00 0.1 0.0575 0.0600 -0.0005 0.0005 units box
+region region_gouge_25 block 0.00 0.1 0.0600 0.0625 -0.0005 0.0005 units box
+region region_gouge_26 block 0.00 0.1 0.0625 0.0650 -0.0005 0.0005 units box
+region region_gouge_27 block 0.00 0.1 0.0650 0.0675 -0.0005 0.0005 units box
+region region_gouge_28 block 0.00 0.1 0.0675 0.0700 -0.0005 0.0005 units box
+region region_gouge_29 block 0.00 0.1 0.0700 0.0725 -0.0005 0.0005 units box
+region region_gouge_30 block 0.00 0.1 0.0725 0.0750 -0.0005 0.0005 units box
+region region_gouge_31 block 0.00 0.1 0.0750 0.0775 -0.0005 0.0005 units box
+region region_gouge_32 block 0.00 0.1 0.0775 0.0800 -0.0005 0.0005 units box
+region region_gouge_33 block 0.00 0.1 0.0800 0.0825 -0.0005 0.0005 units box
+region region_gouge_34 block 0.00 0.1 0.0825 0.0850 -0.0005 0.0005 units box
+region region_gouge_35 block 0.00 0.1 0.0850 0.0875 -0.0005 0.0005 units box
+region region_gouge_36 block 0.00 0.1 0.0875 0.0900 -0.0005 0.0005 units box
+region region_gouge_37 block 0.00 0.1 0.0900 0.0925 -0.0005 0.0005 units box
+region region_gouge_38 block 0.00 0.1 0.0925 0.0950 -0.0005 0.0005 units box
+region region_gouge_39 block 0.00 0.1 0.0950 0.0975 -0.0005 0.0005 units box
+region region_gouge_40 block 0.00 0.1 0.0975 0.1000 -0.0005 0.0005 units box
+
+group nve_group region region_gouge_1
+group nve_group region region_gouge_2
+group nve_group region region_gouge_3
+group nve_group region region_gouge_4
+group nve_group region region_gouge_5
+group nve_group region region_gouge_6
+group nve_group region region_gouge_7
+group nve_group region region_gouge_8
+group nve_group region region_gouge_9
+group nve_group region region_gouge_10
+group nve_group region region_gouge_11
+group nve_group region region_gouge_12
+group nve_group region region_gouge_13
+group nve_group region region_gouge_14
+group nve_group region region_gouge_15
+group nve_group region region_gouge_16
+group nve_group region region_gouge_17
+group nve_group region region_gouge_18
+group nve_group region region_gouge_19
+group nve_group region region_gouge_20
+group nve_group region region_gouge_21
+group nve_group region region_gouge_22
+group nve_group region region_gouge_23
+group nve_group region region_gouge_24
+group nve_group region region_gouge_25
+group nve_group region region_gouge_26
+group nve_group region region_gouge_27
+group nve_group region region_gouge_28
+group nve_group region region_gouge_29
+group nve_group region region_gouge_30
+group nve_group region region_gouge_31
+group nve_group region region_gouge_32
+group nve_group region region_gouge_33
+group nve_group region region_gouge_34
+group nve_group region region_gouge_35
+group nve_group region region_gouge_36
+group nve_group region region_gouge_37
+group nve_group region region_gouge_38
+group nve_group region region_gouge_39
+group nve_group region region_gouge_40
+
+fix ins_1 nve_group pour 50000 1 144 region region_gouge_1 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_2 nve_group pour 50000 1 609 region region_gouge_2 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_3 nve_group pour 50000 1 201 region region_gouge_3 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_4 nve_group pour 50000 1 124 region region_gouge_4 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_5 nve_group pour 50000 1 187 region region_gouge_5 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_6 nve_group pour 50000 1 326 region region_gouge_6 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_7 nve_group pour 50000 1 464 region region_gouge_7 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_8 nve_group pour 50000 1 349 region region_gouge_8 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_9 nve_group pour 50000 1 771 region region_gouge_9 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_10 nve_group pour 50000 1 660 region region_gouge_10 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_11 nve_group pour 50000 1 764 region region_gouge_11 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_12 nve_group pour 50000 1 955 region region_gouge_12 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_13 nve_group pour 50000 1 932 region region_gouge_13 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_14 nve_group pour 50000 1 403 region region_gouge_14 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_15 nve_group pour 50000 1 346 region region_gouge_15 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_16 nve_group pour 50000 1 963 region region_gouge_16 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_17 nve_group pour 50000 1 511 region region_gouge_17 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_18 nve_group pour 50000 1 147 region region_gouge_18 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_19 nve_group pour 50000 1 148 region region_gouge_19 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_20 nve_group pour 50000 1 864 region region_gouge_20 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_21 nve_group pour 50000 1 711 region region_gouge_21 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_22 nve_group pour 50000 1 820 region region_gouge_22 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_23 nve_group pour 50000 1 489 region region_gouge_23 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_24 nve_group pour 50000 1 929 region region_gouge_24 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_25 nve_group pour 50000 1 936 region region_gouge_25 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_26 nve_group pour 50000 1 640 region region_gouge_26 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_27 nve_group pour 50000 1 551 region region_gouge_27 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_28 nve_group pour 50000 1 338 region region_gouge_28 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_29 nve_group pour 50000 1 872 region region_gouge_29 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_30 nve_group pour 50000 1 641 region region_gouge_30 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_31 nve_group pour 50000 1 779 region region_gouge_31 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_32 nve_group pour 50000 1 988 region region_gouge_32 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_33 nve_group pour 50000 1 953 region region_gouge_33 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_34 nve_group pour 50000 1 473 region region_gouge_34 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_35 nve_group pour 50000 1 946 region region_gouge_35 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_36 nve_group pour 50000 1 151 region region_gouge_36 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_37 nve_group pour 50000 1 415 region region_gouge_37 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_38 nve_group pour 50000 1 990 region region_gouge_38 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_39 nve_group pour 50000 1 298 region region_gouge_39 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+fix ins_40 nve_group pour 50000 1 611 region region_gouge_40 vol 0.2 200 diam poly 2 0.0025 0.5 0.0035 0.5
+
+run 1
+
+set group nve_group density/disc 2.5
+fix integr nve_group nve/sphere disc
+fix makeit2d all enforce2d
+
+thermo 1
+thermo_modify lost ignore norm no
+
+# Unfix particle insertion
+
+unfix ins_1
+unfix ins_2
+unfix ins_3
+unfix ins_4
+unfix ins_5
+unfix ins_6
+unfix ins_7
+unfix ins_8
+unfix ins_9
+unfix ins_10
+unfix ins_11
+unfix ins_12
+unfix ins_13
+unfix ins_14
+unfix ins_15
+unfix ins_16
+unfix ins_17
+unfix ins_18
+unfix ins_19
+unfix ins_20
+unfix ins_21
+unfix ins_22
+unfix ins_23
+unfix ins_24
+unfix ins_25
+unfix ins_26
+unfix ins_27
+unfix ins_28
+unfix ins_29
+unfix ins_30
+unfix ins_31
+unfix ins_32
+unfix ins_33
+unfix ins_34
+unfix ins_35
+unfix ins_36
+unfix ins_37
+unfix ins_38
+unfix ins_39
+unfix ins_40
+
+run 100 upto
+
+# Set gouge layer grain density
+set group all density/disc 2.5
+
+# Apply NVE integration to all particles
+fix integr all nve/sphere disc
+
+# Output settings
+compute 1 all erotate/sphere
+compute 2 all contact/atom
+compute 3 all ke
+
+variable Sxx equal pxx
+variable Syy equal pyy
+variable TotalPressure equal (v_Sxx+v_Syy)/2.0
+
+thermo_style custom step atoms ke pxx pyy v_TotalPressure ly
+thermo 50000
+thermo_modify lost ignore norm no
+
+set group all density/disc 2.5
+
+# Stop the confining pressure once the pressure is superior to the desired pressure
+fix condition all halt 1 v_Syy > ${confinement_pressure} error continue
+fix def all deform 1 x erate -50 y erate -50 z erate 0
+
+run 1500000
+unfix def
+unfix condition
+
+run 10000
+
+# Check if the pressure does not decrease
+label loopa
+variable a loop 1000
+ label loopb
+ variable P equal pyy
+ variable b loop 1000
+ if "${P} > ${confinement_pressure}" then "jump SELF break"
+ fix def all deform 1 x erate -10 y erate -10 z erate 0
+ run 1000
+ unfix def
+ run 10000
+ next b
+ jump SELF loopb
+ label break
+ variable b delete
+if "${P} > ${confinement_pressure}" then "jump SELF break2"
+next a
+jump SELF loopa
+label break2
+print "Over"
+
+restart 1000000 confined.restart confined2.restart
+
+run 1000000
+
+write_data box_confined.data
\ No newline at end of file
diff --git a/DATASET/P=90000Pa/2_shear.in b/DATASET/P=90000Pa/2_shear.in
new file mode 100644
index 0000000..1547629
--- /dev/null
+++ b/DATASET/P=90000Pa/2_shear.in
@@ -0,0 +1,36 @@
+read_restart confined.restart
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+
+fix 2 all deform 1 xy erate ${rate}
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+
+write_data box_sheared.data
+
diff --git a/DATASET/P=90000Pa/StrainStress.txt b/DATASET/P=90000Pa/StrainStress.txt
new file mode 100644
index 0000000..0a56ceb
--- /dev/null
+++ b/DATASET/P=90000Pa/StrainStress.txt
@@ -0,0 +1,1003 @@
+# Fix print output for fix output_file
+3.89411564999845e-05 2122.1195192834784393
+0.000138755844999997 1944.3955508980116065
+0.000238570533500009 1766.7027887707715763
+0.000338385222000021 1589.0514723082617365
+0.000438199910500033 1411.4667559519423321
+0.000538014599000045 1233.9248092975687996
+0.000637829287500057 1056.4114334454441178
+0.000737643976000069 878.93199746492314262
+0.000837458664499926 701.49322743715583783
+0.000937273352999938 524.10727148230046168
+0.00103708804149995 346.78372527956884142
+0.00113690272999996 169.47548722646868669
+0.00123671741849997 -7.827995952816717562
+0.00133653210699999 -185.09522793907288474
+0.0014363467955 -362.31254704666423549
+0.00153616148400001 -539.50824124424718775
+0.00163597617250002 -716.67650819698530995
+0.00173579086100003 -893.81158708749705966
+0.00183560554950005 -1070.9077084355844818
+0.00193542023800006 -1247.9626712753733955
+0.00203523492650007 -1424.9653918787589646
+0.00213504961499993 -1601.8997087236887182
+0.00223486430349994 -1778.7267865645790152
+0.00233467899199995 -1955.5011827148798602
+0.00243449368049996 -2132.2362563734372998
+0.00253430836899998 -2308.9236327371027073
+0.00263412305749999 -2485.5462827769310934
+0.002733937746 -2662.0805159556230137
+0.00283375243450001 -2838.5898054061749463
+0.00293356712300002 -3015.074294316065334
+0.00303338181150004 -3191.5315629932401862
+0.00313319650000005 -3367.9591484876223149
+0.00323301118850006 -3544.3545249249464177
+0.00333282587700007 -3720.7150780581077925
+0.00343264056549993 -3897.038069925471973
+0.00353245525399994 -4073.3205852795294959
+0.00363226994249995 -4249.5594419014441883
+0.00373208463099997 -4425.7510177553913309
+0.00383189931949998 -4601.8908336799859171
+0.00393171400799999 -4778.0235702498175669
+0.0040315286965 -4954.1506034385229214
+0.00413134338500001 -5130.2619131586188814
+0.00423115807350003 -5306.3451334937599313
+0.00433097276200004 -5482.385532498129578
+0.00443078745050005 -5658.3986333791945071
+0.00453060213900006 -5834.3814341921415689
+0.00463041682750007 -6010.3297046358993612
+0.00473023151599993 -6186.2394182054831617
+0.00483004620449994 -6362.1066342342101052
+0.00492986089299996 -6537.9274082072488454
+0.00502967558149997 -6713.7210320025060355
+0.00512949026999998 -6889.492249911950239
+0.00522930495849999 -7065.2230242856749101
+0.005329119647 -7240.9045792853439707
+0.00542893433550002 -7416.5292811873714527
+0.00552874902400003 -7592.0892188436118886
+0.00562856371250004 -7767.5749624025556841
+0.00572837840100005 -7942.9721569450357492
+0.00582819308950006 -8118.2508288123499369
+0.00592800777800008 -8293.4505487389196787
+0.00602782246649993 -8468.5727988981689123
+0.00612763715499995 -8643.6037922349241853
+0.00622745184349996 -8818.5073315803820151
+0.00632726653199997 -8993.3111543795239413
+0.00642708122049998 -9168.0341078023611772
+0.00652689590899999 -9342.7044217607071914
+0.00662671059750001 -9517.3283781075533625
+0.00672652528600002 -9691.8937789533647447
+0.00682633997450003 -9866.3796449350065814
+0.00692615466300004 -10040.804289265075568
+0.00702596935150005 -10215.159922174692838
+0.00712578404000007 -10389.419731099756973
+0.00722559872850008 -10563.620630156956395
+0.00732541341699994 -10737.788115120642033
+0.00742522810549995 -10911.919128912140877
+0.00752504279399996 -11086.009996437225709
+0.00762485748249997 -11260.053651657686714
+0.00772467217099998 -11434.051187395720262
+0.0078244868595 -11608.007400302099995
+0.00792430154800001 -11781.919316828914816
+0.00802411623650002 -11955.782934980496066
+0.00812393092500003 -12129.591186187406493
+0.00822374561350004 -12303.351926815672414
+0.00832356030200006 -12477.064903124713965
+0.00842337499050007 -12650.727886365864833
+0.00852318967899992 -12824.338601537589057
+0.00862300436749994 -12997.894719820817045
+0.00872281905599995 -13171.393850176536944
+0.00882263374449996 -13344.833529706516856
+0.00892244843299997 -13518.218924485658135
+0.00902226312149999 -13691.56034779968104
+0.00912207781 -13864.84587346126682
+0.00922189249850001 -14038.069907785660689
+0.00932170718700002 -14211.228024433215978
+0.00942152187550003 -14384.316105374746257
+0.00952133656400005 -14557.330051610719238
+0.00962115125250006 -14730.265614520185409
+0.00972096594100007 -14903.118241473703165
+0.00982078062949993 -15075.88286124051956
+0.00992059531799994 -15248.553367520362372
+0.0100204100065 -15421.121910639958514
+0.010120224695 -15593.584235724350947
+0.0102200393835 -15765.92732328402235
+0.010319854072 -15938.128038800785362
+0.0104196687605 -16110.225610314153528
+0.010519483449 -16282.215782921693972
+0.0106192981375 -16454.086877166559134
+0.010719112826 -16625.82116277030218
+0.0108189275145 -16797.388182613522076
+0.0109187422030001 -16968.835087239378481
+0.0110185568915001 -17140.141858259470609
+0.0111183715799999 -17311.393403685517114
+0.0112181862684999 -17482.601010086076712
+0.011318000957 -17653.753224706681067
+0.0114178156455 -17824.841896679441561
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diff --git a/DATASET/P=90000Pa/box_confined.data b/DATASET/P=90000Pa/box_confined.data
new file mode 100644
index 0000000..151340c
--- /dev/null
+++ b/DATASET/P=90000Pa/box_confined.data
@@ -0,0 +1,494 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2114901
+
+240 atoms
+6 atom types
+
+0.027620025000000006 0.072379975 xlo xhi
+0.027620025000000006 0.072379975 ylo yhi
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diff --git a/DATASET/P=90000Pa/box_sheared.data b/DATASET/P=90000Pa/box_sheared.data
new file mode 100644
index 0000000..a332e04
--- /dev/null
+++ b/DATASET/P=90000Pa/box_sheared.data
@@ -0,0 +1,495 @@
+LAMMPS data file via write_data, version 29 Sep 2021, timestep = 2223414
+
+240 atoms
+6 atom types
+
+0.027620025000000006 0.072379975 xlo xhi
+0.027620025000000006 0.072379975 ylo yhi
+-0.0005 0.0005 zlo zhi
+0.004475994762458947 0 0 xy xz yz
+
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+224 -9.495116467860903 0.5193731007913178 0 0 0 0
+228 -35.68140411769551 2.731929867291665 0 0 0 0
+209 -14.012737508606085 5.969977450857931 0 0 0 0
+192 -37.12373182665269 19.594455731715207 0 0 0 0
+195 -32.034065165705165 -4.49208332283922 0 0 0 0
+220 9.736804015563582 43.2045436750767 0 0 0 0
+212 -60.766526685261084 -16.371195883810824 0 0 0 0
+218 -5.487995192250284 34.502291628187024 0 0 0 0
+221 -24.0087261377868 13.819140658520709 0 0 0 0
+216 17.120019911517833 79.22001837689525 0 0 0 0
+234 -2.29094713520396 -19.593910537031764 0 0 0 0
+211 -28.76590378588837 28.610135848567023 0 0 0 0
+227 15.65341914472381 23.190576117726994 0 0 0 0
+240 -16.156117333809945 -33.16864330905943 0 0 0 0
+215 -14.093295591856055 57.81544337312918 0 0 0 0
+208 18.438450470283467 -30.51375074940687 0 0 0 0
+217 35.24768651690771 -2.011044927534507 0 0 0 0
+226 4.067854471696368 0.7169786266842892 0 0 0 0
+229 -17.207049896675876 -3.977375611833552 0 0 0 0
+232 -0.4352986830123887 -22.10317884810676 0 0 0 0
+231 4.466522929011716 -2.002213672363744 0 0 0 0
+222 -33.92462007685808 60.34042831451804 0 0 0 0
+236 10.462279341879885 1.9678192596991793 0 0 0 0
+238 -29.357758835410827 -0.35889774136649255 0 0 0 0
+223 -3.750004263378807 14.396271594174275 0 0 0 0
+233 32.61693573221615 27.182441978724967 0 0 0 0
+239 17.161631808681477 16.142630535799437 0 0 0 0
diff --git a/DATASET/P=90000Pa/confined.restart b/DATASET/P=90000Pa/confined.restart
new file mode 100644
index 0000000..21f4017
Binary files /dev/null and b/DATASET/P=90000Pa/confined.restart differ
diff --git a/DATASET/P=90000Pa/log.lammps b/DATASET/P=90000Pa/log.lammps
new file mode 100644
index 0000000..418825d
--- /dev/null
+++ b/DATASET/P=90000Pa/log.lammps
@@ -0,0 +1,148 @@
+LAMMPS (29 Sep 2021 - Update 3)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
+ using 1 OpenMP thread(s) per MPI task
+read_restart confined.restart
+Reading restart file ...
+ restart file = 29 Sep 2021, LAMMPS = 29 Sep 2021
+ restoring atom style sphere from restart
+ orthogonal box = (0.027620025 0.027620025 -0.00050000000) to (0.072379975 0.072379975 0.00050000000)
+ 1 by 1 by 1 MPI processor grid
+ restoring pair style gran/hertz/history from restart
+ 240 atoms
+ read_restart CPU = 0.001 seconds
+
+variable nb_points equal 1000
+variable eps_max equal 0.1
+variable shearrate equal 1e-1
+variable dt equal 0.01
+
+# Don't touch
+variable eps equal xy/lx
+variable rate equal v_shearrate*lx*v_dt
+variable nb_step equal $(round(v_eps_max/(v_rate*v_dt)))
+variable nb_step equal 223414
+variable print_freq equal $(round(v_nb_step/v_nb_points))
+variable print_freq equal 223
+
+# ===== GEOMETRY ====
+
+change_box all triclinic
+Changing box ...
+ triclinic box = (0.027620025 0.027620025 -0.00050000000) to (0.072379975 0.072379975 0.00050000000) with tilt (0.0000000 0.0000000 0.0000000)
+
+# ==== DUMP ====
+
+thermo_style custom step atoms lx xy pxy v_eps v_nb_step
+thermo_modify norm no flush yes
+thermo 5000
+
+# ==== FIXES ====
+
+timestep ${dt}
+timestep 0.01
+
+fix 2 all deform 1 xy erate ${rate}
+fix 2 all deform 1 xy erate 4.475995e-05
+fix FIX5 all enforce2d
+
+fix output_file all print ${print_freq} "${eps} $(pxy)" file StrainStress.txt screen no
+fix output_file all print 223 "${eps} $(pxy)" file StrainStress.txt screen no
+
+run ${nb_step}
+run 223414
+Resetting global fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+Resetting peratom fix info from restart file:
+ fix style: NEIGH_HISTORY, fix ID: NEIGH_HISTORY_HH0
+All restart file global fix info was re-assigned
+All restart file peratom fix info was re-assigned
+Neighbor list info ...
+ update every 1 steps, delay 10 steps, check yes
+ max neighbors/atom: 2000, page size: 100000
+ master list distance cutoff = 0.0045
+ ghost atom cutoff = 0.0045
+ binsize = 0.00225, bins = 20 20 1
+ 1 neighbor lists, perpetual/occasional/extra = 1 0 0
+ (1) pair gran/hertz/history, perpetual
+ attributes: half, newton on, size, history
+ pair build: half/size/bin/newton/tri
+ stencil: half/bin/2d/tri
+ bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.981 | 9.981 | 9.981 Mbytes
+Step Atoms Lx Xy Pxy v_eps v_nb_step
+ 2000000 240 0.04475995 0 2190.6656 0 223414
+ 2005000 240 0.04475995 0.00010017266 -1784.2763 0.0022379975 223414
+ 2010000 240 0.04475995 0.00020034531 -5738.1079 0.004475995 223414
+ 2015000 240 0.04475995 0.00030051797 -9669.9791 0.0067139925 223414
+ 2020000 240 0.04475995 0.00040069062 -13569.527 0.00895199 223414
+ 2025000 240 0.04475995 0.00050086328 -17434.238 0.011189987 223414
+ 2030000 240 0.04475995 0.00060103594 -21248.569 0.013427985 223414
+ 2035000 240 0.04475995 0.00070120859 -25026.188 0.015665982 223414
+ 2040000 240 0.04475995 0.00080138125 -28765.455 0.01790398 223414
+ 2045000 240 0.04475995 0.00090155391 -32475.171 0.020141978 223414
+ 2050000 240 0.04475995 0.0010017266 -36179.171 0.022379975 223414
+ 2055000 240 0.04475995 0.0011018992 -39871.964 0.024617973 223414
+ 2060000 240 0.04475995 0.0012020719 -43572.509 0.02685597 223414
+ 2065000 240 0.04475995 0.0013022445 -47277.44 0.029093968 223414
+ 2070000 240 0.04475995 0.0014024172 -50990.99 0.031331965 223414
+ 2075000 240 0.04475995 0.0015025898 -54730.966 0.033569963 223414
+ 2080000 240 0.04475995 0.0016027625 -58495.059 0.03580796 223414
+ 2085000 240 0.04475995 0.0017029352 -62278.728 0.038045957 223414
+ 2090000 240 0.04475995 0.0018031078 -66097.898 0.040283955 223414
+ 2095000 240 0.04475995 0.0019032805 -69940.729 0.042521952 223414
+ 2100000 240 0.04475995 0.0020034531 -73806.148 0.04475995 223414
+ 2105000 240 0.04475995 0.0021036258 -77687.731 0.046997947 223414
+ 2110000 240 0.04475995 0.0022037984 -81588.865 0.049235945 223414
+ 2115000 240 0.04475995 0.0023039711 -85518.876 0.051473942 223414
+ 2120000 240 0.04475995 0.0024041437 -89468.304 0.05371194 223414
+ 2125000 240 0.04475995 0.0025043164 -93443.417 0.055949937 223414
+ 2130000 240 0.04475995 0.0026044891 -97450.637 0.058187935 223414
+ 2135000 240 0.04475995 0.0027046617 -101495.09 0.060425933 223414
+ 2140000 240 0.04475995 0.0028048344 -105578.57 0.06266393 223414
+ 2145000 240 0.04475995 0.002905007 -109702.4 0.064901928 223414
+ 2150000 240 0.04475995 0.0030051797 -113878.92 0.067139925 223414
+ 2155000 240 0.04475995 0.0031053523 -118106.37 0.069377923 223414
+ 2160000 240 0.04475995 0.003205525 -122377.18 0.07161592 223414
+ 2165000 240 0.04475995 0.0033056977 -126692.7 0.073853917 223414
+ 2170000 240 0.04475995 0.0034058703 -131063.67 0.076091915 223414
+ 2175000 240 0.04475995 0.003506043 -135483.61 0.078329912 223414
+ 2180000 240 0.04475995 0.0036062156 -139949.88 0.08056791 223414
+ 2185000 240 0.04475995 0.0037063883 -144467.57 0.082805907 223414
+ 2190000 240 0.04475995 0.0038065609 -149034.68 0.085043905 223414
+ 2195000 240 0.04475995 0.0039067336 -153649.64 0.087281902 223414
+ 2200000 240 0.04475995 0.0040069062 -158307.66 0.0895199 223414
+ 2205000 240 0.04475995 0.0041070789 -163003.7 0.091757898 223414
+ 2210000 240 0.04475995 0.0042072516 -167735.36 0.093995895 223414
+ 2215000 240 0.04475995 0.0043074242 -172501.66 0.096233893 223414
+ 2220000 240 0.04475995 0.0044075969 -177305.41 0.09847189 223414
+ 2223414 240 0.04475995 0.0044759948 -180605.32 0.099999995 223414
+Loop time of 4.83004 on 1 procs for 223414 steps with 240 atoms
+
+99.3% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 3.5191 | 3.5191 | 3.5191 | 0.0 | 72.86
+Neigh | 0.00072289 | 0.00072289 | 0.00072289 | 0.0 | 0.01
+Comm | 0.50831 | 0.50831 | 0.50831 | 0.0 | 10.52
+Output | 0.0063334 | 0.0063334 | 0.0063334 | 0.0 | 0.13
+Modify | 0.58593 | 0.58593 | 0.58593 | 0.0 | 12.13
+Other | | 0.2097 | | | 4.34
+
+Nlocal: 240.000 ave 240 max 240 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost: 109.000 ave 109 max 109 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs: 700.000 ave 700 max 700 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 700
+Ave neighs/atom = 2.9166667
+Neighbor list builds = 17
+Dangerous builds = 0
+
+write_data box_sheared.data
+System init for write_data ...
+
+Total wall time: 0:00:04
diff --git a/DATASET/dataset b/DATASET/dataset
new file mode 100644
index 0000000..1245542
Binary files /dev/null and b/DATASET/dataset differ
diff --git a/DATASET/dataset.csv b/DATASET/dataset.csv
new file mode 100644
index 0000000..06a688b
--- /dev/null
+++ b/DATASET/dataset.csv
@@ -0,0 +1,2004 @@
+,Strain P=100000Pa,Stress P=100000Pa,Strain P=10000Pa,Stress P=10000Pa,Strain P=110000Pa,Stress P=110000Pa,Strain P=120000Pa,Stress P=120000Pa,Strain P=130000Pa,Stress P=130000Pa,Strain P=140000Pa,Stress P=140000Pa,Strain P=150000Pa,Stress P=150000Pa,Strain P=160000Pa,Stress P=160000Pa,Strain P=170000Pa,Stress P=170000Pa,Strain P=180000Pa,Stress P=180000Pa,Strain P=190000Pa,Stress P=190000Pa,Strain P=200000Pa,Stress P=200000Pa,Strain P=20000Pa,Stress P=20000Pa,Strain P=30000Pa,Stress P=30000Pa,Strain P=40000Pa,Stress P=40000Pa,Strain P=50000Pa,Stress P=50000Pa,Strain P=60000Pa,Stress P=60000Pa,Strain P=70000Pa,Stress P=70000Pa,Strain P=80000Pa,Stress P=80000Pa,Strain P=90000Pa,Stress P=90000Pa
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diff --git a/README.md b/README.md
new file mode 100644
index 0000000..8126b5c
--- /dev/null
+++ b/README.md
@@ -0,0 +1,37 @@
+# DATA-DRIVEN NUMERICAL SITE RESPONSE
+
+## Author
+
+Arthur Cornet
+
+## Collaborators
+
+Sacha Wattel, Joaquin Garcia-Suarez, Jean-François Molinari
+
+## Date
+
+26/09/2022
+
+## Instructions
+
+\CODE folder contains two subfolders: \DATASET and \DDM
+
+\DATASET subfolder contains the Python scripts related to the DEM dataset.
+- generate_dataset.py creates the LAMMPS files which are then used to create the DEM dataset.
+- packing_fraction.py computes the packing fraction of a dataset (for each confinement pressure).
+- save_dataset.py saves the dataset generated by LAMMPS as a dataframe stored in a pickle file.
+- plot_dataset.py loads a pickle file containing a dataset and plots it.
+The subfolder \ref_lammps contains text files which are required to launch generate_dataset.py.
+
+\DDM subfolder contains the Python scripts related to Data-Driven Mechanics methods.
+- ddm_wave_prop.py contains all the useful functions for DDM simulation and plotting.
+- plots.py enables to do a DDM simulation, plot the energy, and display the displacement as a gif.
+- plots_multiple.py creates a gif of the displacements for several oscillation periods.
+- frequence_response.py plots the amplification ratio against the oscillation period.
+The subfolder \test contains other scripts used to test the DDM algorithm.
+The subfolder \img is used to stored the images that are then used to create a gif file.
+
+\DATASET folder contains the DEM dataset generated with LAMMPS.
+
+
+

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