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README
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README
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This is the LAMMPS (15 Jan 2010) software package.
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This is the LAMMPS (10 Sept 2010) software package.
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LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel
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LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel
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Simulator.
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Simulator.
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@ -20,7 +20,7 @@ The primary author of the code is Steve Plimpton, who can be emailed
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at sjplimp@sandia.gov. The LAMMPS WWW Site at lammps.sandia.gov has
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at sjplimp@sandia.gov. The LAMMPS WWW Site at lammps.sandia.gov has
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more information about the code and its uses.
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more information about the code and its uses.
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The LAMMPS (15 Jan 2010) distribution includes the following files
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The LAMMPS (10 Sept 2010) distribution includes the following files
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and directories:
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and directories:
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README this file
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README this file
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@ -22,14 +22,14 @@ xmovie tool described in the "Additional Tools" section of the LAMMPS
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documentation. Animations of many of these examples can be viewed on
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documentation. Animations of many of these examples can be viewed on
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the Movies section of the LAMMPS WWW Site.
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the Movies section of the LAMMPS WWW Site.
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These are the sample problems in the various sub-directories:
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These are the sample problems and their output in the various
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sub-directories:
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colloid: big colloid particles in a small particle solvent, 2d system
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colloid: big colloid particles in a small particle solvent, 2d system
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comb: models using the COMB potential
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comb: models using the COMB potential
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crack: crack propagation in a 2d solid
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crack: crack propagation in a 2d solid
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dipole: point dipolar particles, 2d system
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dipole: point dipolar particles, 2d system
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eim: NaCl using the EIM potential
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eim: NaCl using the EIM potential
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elastic: zero temperature elastic constant tensor of silicon
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ellipse: ellipsoidal particles in spherical solvent, 2d system
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ellipse: ellipsoidal particles in spherical solvent, 2d system
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flow: Couette and Poiseuille flow in a 2d channel
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flow: Couette and Poiseuille flow in a 2d channel
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friction: frictional contact of spherical asperities between 2d surfaces
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friction: frictional contact of spherical asperities between 2d surfaces
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@ -49,15 +49,6 @@ reax: RDX and TATB models using the ReaxFF
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rigid: rigid bodies modeled as independent or coupled
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rigid: rigid bodies modeled as independent or coupled
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shear: sideways shear applied to 2d solid, with and without a void
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shear: sideways shear applied to 2d solid, with and without a void
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There is also a COUPLE directory which has examples of how to link to
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LAMMPS as a library and drive it from a wrapper program. See the
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README file for more info.
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There is also a USER directory which contains subdirectories of
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user-provided examples for user packages. See the README files in
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those directories for more info. See the doc/Section_start.html for
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more info about user packages.
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Here is how you might run and visualize one of the sample problems:
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Here is how you might run and visualize one of the sample problems:
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cd indent
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cd indent
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@ -68,3 +59,19 @@ Running the simulation produces the files dump.indent and log.lammps.
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You can visualize the dump file as follows:
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You can visualize the dump file as follows:
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../../tools/xmovie/xmovie -scale dump.indent
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../../tools/xmovie/xmovie -scale dump.indent
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------------------------------------------
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There is also a COUPLE directory which has examples of how to link to
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LAMMPS as a library and drive it from a wrapper program. See the
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README file for more info.
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There is also an ELASTIC directory with an example script for
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computing elastic constants, using a zero temperature Si example. See
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the in.elastic file for more info.
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There is also a USER directory which contains subdirectories of
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user-provided examples for user packages. See the README files in
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those directories for more info. See the doc/Section_start.html file
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for more info about user packages.
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File diff suppressed because one or more lines are too long
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@ -1 +1 @@
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#define LAMMPS_VERSION "9 Sep 2010"
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#define LAMMPS_VERSION "10 Sep 2010"
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@ -420,7 +420,7 @@ int main (int argc, char **argv)
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void header(FILE *fp, Data &data)
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void header(FILE *fp, Data &data)
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{
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{
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char *version = "15 Jan 2010";
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char *version = "10 Sept 2010";
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data.triclinic = 0;
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data.triclinic = 0;
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