diff --git a/test/single_scale/LAMMPS/test_aluminum_core_template/check.py b/test/single_scale/LAMMPS/test_aluminum_core_template/check.py new file mode 100644 index 0000000..12b41a4 --- /dev/null +++ b/test/single_scale/LAMMPS/test_aluminum_core_template/check.py @@ -0,0 +1,10 @@ + + +def compute(core=None, **kwargs): + print(core.keys()) + # for a in core['displacements']: + # print(a) + for a in core['corrections']: + print(a) + + return core['displacements'] diff --git a/test/single_scale/LAMMPS/test_aluminum_core_template/test_aluminum_core_template.config b/test/single_scale/LAMMPS/test_aluminum_core_template/test_aluminum_core_template.config index 2165885..05e7739 100644 --- a/test/single_scale/LAMMPS/test_aluminum_core_template/test_aluminum_core_template.config +++ b/test/single_scale/LAMMPS/test_aluminum_core_template/test_aluminum_core_template.config @@ -1,49 +1,50 @@ Section MultiScale MetalUnits DIMENSION 3 UNITCODE MetalUnits LET A = 4.04525975883 LET BX = sqrt(2) LET BY = sqrt(3) LET BZ = sqrt(6) LET AX = BX*A LET AY = BY*A LET AZ = BZ*A LET WIDTH = 2 LET HEIGHT = 5 LET THICKNESS = 1 LET MDSIZE = 8 LET AWIDTH = WIDTH*AX LET AHEIGHT = HEIGHT*AY LET ATHICKNESS = THICKNESS*AZ LET mass = 26.9815400000000 ## geometry GEOMETRY full CUBE BBOX -1000 1000 -1000 1000 -1000 1000 ################################################################################ ## model declarations MD_CODE LAMMPS md COMPUTE seg_nodes PYTHON FILENAME generate_nodes FILTER nodes POINTSET INPUT seg_nodes COMPUTE conn PYTHON INPUT seg_nodes FILENAME generate_conn COMPUTE burgers PYTHON INPUT conn FILENAME generate_burgers COMPUTE normals PYTHON INPUT conn FILENAME generate_normals FILTER segs DDMESH INPUT nodes=nodes INPUT connectivity=conn INPUT burgers=burgers INPUT normals=normals FILTER core CADD_TEMPLATE INPUT points=md INPUT segments=segs FILENAME lm_core_correction_template_angle_90_radius_10.npz -STIMULATION core_stim FIELD INPUT dofs=md INPUT field=core FIELD displacement +COMPUTE check PYTHON INPUT core FILENAME check +STIMULATION core_stim FIELD INPUT dofs=md INPUT field=check FIELD displacement DUMPER points PARAVIEW INPUT md DISP # DUMPER core TEXT INPUT core endSection ################################################################################ #Lammps section Section LAMMPS:md MetalUnits TIMESTEP 1e-3 LAMMPS_FILE lammps.conf DOMAIN_GEOMETRY full endSection