diff --git a/README b/README index e0a62631b..5bb2d6cad 100644 --- a/README +++ b/README @@ -1,40 +1,40 @@ -This is the LAMMPS (21 May 2008) software package. +This is the LAMMPS (6 Jan 2009) software package. LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator. Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains certain rights in this software. This software is distributed under the GNU General Public License. ---------------------------------------------------------------------- LAMMPS is a classical molecular dynamics simulation code designed to run efficiently on parallel computers. It was developed at Sandia National Laboratories, a US Department of Energy facility, with funding from the DOE. It is an open-source code, distributed freely under the terms of the GNU Public License (GPL). The primary author of the code is Steve Plimpton, who can be emailed at sjplimp@sandia.gov. The LAMMPS WWW Site at lammps.sandia.gov has more information about the code and its uses. -The LAMMPS (21 May 2008) distribution includes the following files +The LAMMPS (6 Jan 2009) distribution includes the following files and directories: README this file LICENSE the GNU General Public License (GPL) bench benchmark problems doc documentation examples simple test problems lib libraries LAMMPS can be linked with potentials interatomic potential files src source files tools pre- and post-processing tools Point your browser at any of these files to get started: doc/Manual.html the LAMMPS manual doc/Section_intro.html hi-level introduction to LAMMPS doc/Section_start.html how to build and use LAMMPS diff --git a/bench/in.chute b/bench/in.chute index 85d0f8f50..b2eeaa746 100644 --- a/bench/in.chute +++ b/bench/in.chute @@ -1,32 +1,32 @@ # LAMMPS benchmark of granular flow # chute flow of 32000 atoms with frozen base at 26 degrees units lj atom_style granular boundary p p fs newton off read_data data.chute -pair_style gran/history 200000.0 50.0 0.5 0 +pair_style gran/hooke/history 200000.0 NULL 50.0 NULL 0.5 0 pair_coeff * * neighbor 0.1 bin neigh_modify every 1 delay 0 timestep 0.0001 group bottom type 2 group active subtract all bottom neigh_modify exclude group bottom bottom fix 1 all gravity 1.0 chute 26.0 fix 2 bottom freeze fix 3 active nve/sphere compute 1 all erotate/sphere thermo_style custom step atoms ke c_1 vol thermo_modify norm no thermo 100 run 100 diff --git a/examples/pour/in.pour b/examples/pour/in.pour index 04b956eaf..316c537bd 100644 --- a/examples/pour/in.pour +++ b/examples/pour/in.pour @@ -1,41 +1,48 @@ # Pour granular particles into chute container, then induce flow atom_style granular boundary p p fm newton off region reg block -10 10 -10 10 -0.5 16 units box create_box 1 reg neighbor 0.2 bin neigh_modify delay 0 # IMPORTANT NOTE: these values of stiffness (2000) and timestep (0.001) # are used in this example file to produce a quick simulation and movie. # More appropriate values for realistic simulations would be # k = 2.0e5 and dt = 0.0001, as in bench/in.chute. -pair_style gran/history 2000.0 50.0 0.5 0 +pair_style gran/hooke/history 2000.0 NULL 50.0 NULL 0.5 0 +#pair_style gran/hertz/history 4000.0 NULL 100.0 NULL 0.5 0 pair_coeff * * timestep 0.001 +variable kn equal 2000.0 +variable gamman equal 50.0 +#variable kn equal 2000.0*sqrt(2.0) +#variable gamman equal 50.0*sqrt(2.0) + fix 1 all nve/sphere fix 2 all gravity 1.0 spherical 0.0 -180.0 -fix zlower all wall/gran zplane 0.0 2000.0 50.0 0.5 +fix zlower all wall/gran ${kn} NULL ${gamman} NULL 0.5 0 & + zplane 0.0 2000.0 region slab block -9.0 9.0 -9.0 9.0 10.0 15.0 units box fix ins all pour 3000 1 300719 vol 0.13 50 region slab compute 1 all erotate/sphere thermo_style custom step atoms ke c_1 vol thermo 1000 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes dump id all atom 1000 dump.pour run 25000 unfix ins fix 2 all gravity 1.0 chute 26.0 run 25000 diff --git a/examples/pour/in.pour.2d b/examples/pour/in.pour.2d index cf926eac6..1e17db64a 100644 --- a/examples/pour/in.pour.2d +++ b/examples/pour/in.pour.2d @@ -1,42 +1,47 @@ # Pour 2d granular particles into container dimension 2 atom_style granular boundary f fm p newton off region reg block 0 100 0 50 -0.5 0.5 units box create_box 1 reg neighbor 0.2 bin neigh_modify delay 0 -# IMPORTANT NOTE: these values of stiffness (2000) and timestep (0.001) +# IMPORTANT NOTE: these values of stiffness (4000) and timestep (0.001) # are used in this example file to produce a quick simulation and movie. # More appropriate values for realistic simulations would be -# k = 2.0e5 and dt = 0.0001, as in bench/in.chute. +# k = 4.0e5 and dt = 0.0001, as in bench/in.chute (it if were Hertzian). -pair_style gran/hertzian 2000.0 50.0 0.5 0 +pair_style gran/hertz/history 4000.0 NULL 100.0 NULL 0.5 0 pair_coeff * * timestep 0.001 +variable kn equal 2000.0*sqrt(2.0) +variable gamman equal 50.0*sqrt(2.0) + fix 1 all nve/sphere fix 2 all gravity 1.0 spherical 0.0 -180.0 -fix xwalls all wall/gran xplane 0 100 50 0 -fix ywalls all wall/gran yplane 0 NULL 50 0 +fix xwalls all wall/gran ${kn} NULL ${gamman} NULL 0 1 & + xplane 0 100 +fix ywalls all wall/gran ${kn} NULL ${gamman} NULL 0 1 & + yplane 0 NULL region slab block 1.0 99.0 30 34.5 -0.5 0.5 units box fix ins all pour 1000 1 4767548 vol 0.4 10 & diam 0.5 1.0 region slab fix 3 all enforce2d compute 1 all erotate/sphere thermo_style custom step atoms ke c_1 vol thermo 1000 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes dump id all atom 250 dump.pour run 25000