diff --git a/README b/README index ed1a18957d294c2da5888b57cae2043e32adc88b..3f1140445817d3bd26fe480ed9f19b20c23a8d47 100644 --- a/README +++ b/README @@ -1,4 +1,4 @@ -This is the LAMMPS (22 Jun 2007) software package. +This is the LAMMPS (5 Oct 2007) software package. LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator. @@ -21,7 +21,7 @@ at sjplimp@sandia.gov. The LAMMPS WWW Site at www.cs.sandia.gov/~sjplimp/lammps.html has more information about the code and its uses. -The LAMMPS (22 Jun 2007) distribution includes the following files +The LAMMPS (5 Oct 2007) distribution includes the following files and directories: README this file diff --git a/doc/Manual.html b/doc/Manual.html index 44a7d1bb8e97fe364993b61ab71cd38c6ec2916b..594bfee69eb2be62ada379cac0c46ed179debb70 100644 --- a/doc/Manual.html +++ b/doc/Manual.html @@ -22,7 +22,7 @@ <CENTER><H3>LAMMPS Documentation </H3></CENTER> -<CENTER>(22 Jun 2007 version of LAMMPS) +<CENTER>(5 Oct 2007 version of LAMMPS) </CENTER> <P>LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator. diff --git a/doc/Manual.pdf b/doc/Manual.pdf index ee93187bc39bf40ebe26a8caf01f4249574e7bd3..090480fc5d5f8d4c9c5be8ef38af8bd62ffe4209 100644 Binary files a/doc/Manual.pdf and b/doc/Manual.pdf differ diff --git a/doc/Manual.txt b/doc/Manual.txt index f59935a7213f18501a02da703ed6ea28051090a2..4d462b235aebc19c04eb822a737b31d8bf6293ec 100644 --- a/doc/Manual.txt +++ b/doc/Manual.txt @@ -19,7 +19,7 @@ LAMMPS Documentation :c,h3 -(22 Jun 2007 version of LAMMPS) :c +(5 Oct 2007 version of LAMMPS) :c LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator. diff --git a/src/style_asphere.h b/src/style_asphere.h index f67f9033ee6e70a24aa638888bd17a288a4aa843..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 100644 --- a/src/style_asphere.h +++ b/src/style_asphere.h @@ -1,48 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - 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. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef AtomInclude -#include "atom_vec_ellipsoid.h" -#endif - -#ifdef AtomClass -AtomStyle(ellipsoid,AtomVecEllipsoid) -# endif - -#ifdef ComputeInclude -#include "compute_temp_asphere.h" -#endif - -#ifdef ComputeClass -ComputeStyle(temp/asphere,ComputeTempAsphere) -#endif - -#ifdef FixInclude -#include "fix_nve_asphere.h" -#include "fix_nvt_asphere.h" -#include "fix_npt_asphere.h" -#endif - -#ifdef FixClass -FixStyle(nve/asphere,FixNVEASphere) -FixStyle(nvt/asphere,FixNVTASphere) -FixStyle(npt/asphere,FixNPTASphere) -#endif - -#ifdef PairInclude -#include "pair_gayberne.h" -#endif - -#ifdef PairClass -PairStyle(gayberne,PairGayBerne) -#endif diff --git a/src/style_class2.h b/src/style_class2.h index 3ba9b32df4fa05caf64ba29c329fbeb06ebf26cc..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 100644 --- a/src/style_class2.h +++ b/src/style_class2.h @@ -1,56 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - 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. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef AngleInclude -#include "angle_class2.h" -#endif - -#ifdef AngleClass -AngleStyle(class2,AngleClass2) -#endif - -#ifdef BondInclude -#include "bond_class2.h" -#endif - -#ifdef BondClass -BondStyle(class2,BondClass2) -#endif - -#ifdef DihedralInclude -#include "dihedral_class2.h" -#endif - -#ifdef DihedralClass -DihedralStyle(class2,DihedralClass2) -#endif - -#ifdef ImproperInclude -#include "improper_class2.h" -#endif - -#ifdef ImproperClass -ImproperStyle(class2,ImproperClass2) -#endif - -#ifdef PairInclude -#include "pair_lj_class2.h" -#include "pair_lj_class2_coul_cut.h" -#include "pair_lj_class2_coul_long.h" -#endif - -#ifdef PairClass -PairStyle(lj/class2,PairLJClass2) -PairStyle(lj/class2/coul/cut,PairLJClass2CoulCut) -PairStyle(lj/class2/coul/long,PairLJClass2CoulLong) -#endif diff --git a/src/style_colloid.h b/src/style_colloid.h index 393605e64ec1856f4a6cd735629fda7f240c8b34..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 100644 --- a/src/style_colloid.h +++ b/src/style_colloid.h @@ -1,20 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - 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. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef PairInclude -#include "pair_colloid.h" -#endif - -#ifdef PairClass -PairStyle(colloid,PairColloid) -#endif diff --git a/src/style_dipole.h b/src/style_dipole.h index 7f989773f446c9a4af9d49b37e3ea309dbf16579..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 100644 --- a/src/style_dipole.h +++ b/src/style_dipole.h @@ -1,44 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - www.cs.sandia.gov/~sjplimp/lammps.html - Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories - - 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. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef AtomInclude -#include "atom_vec_dipole.h" -#endif - -#ifdef AtomClass -AtomStyle(dipole,AtomVecDipole) -#endif - -#ifdef ComputeInclude -#include "compute_temp_dipole.h" -#endif - -#ifdef ComputeClass -ComputeStyle(temp/dipole,ComputeTempDipole) -#endif - -#ifdef FixInclude -#include "fix_nve_dipole.h" -#endif - -#ifdef FixClass -FixStyle(nve/dipole,FixNVEDipole) -#endif - -#ifdef PairInclude -#include "pair_dipole_cut.h" -#endif - -#ifdef PairClass -PairStyle(dipole/cut,PairDipoleCut) -#endif diff --git a/src/style_dpd.h b/src/style_dpd.h index 8ce617c0c2c997f3335db727ec2c565f6f218c22..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 100644 --- a/src/style_dpd.h +++ b/src/style_dpd.h @@ -1,28 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - 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. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef AtomInclude -#include "atom_vec_dpd.h" -#endif - -#ifdef AtomClass -AtomStyle(dpd,AtomVecDPD) -#endif - -#ifdef PairInclude -#include "pair_dpd.h" -#endif - -#ifdef PairClass -PairStyle(dpd,PairDPD) -#endif diff --git a/src/style_granular.h b/src/style_granular.h index 7b0f4b6a714a2398600707c7c1cc45233e469b38..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 100644 --- a/src/style_granular.h +++ b/src/style_granular.h @@ -1,50 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - 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. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef AtomInclude -#include "atom_vec_granular.h" -#endif - -#ifdef AtomClass -AtomStyle(granular,AtomVecGranular) -# endif - -#ifdef FixInclude -#include "fix_freeze.h" -#include "fix_gran_diag.h" -#include "fix_nve_gran.h" -#include "fix_pour.h" -#include "fix_shear_history.h" -#include "fix_wall_gran.h" -#endif - -#ifdef FixClass -FixStyle(freeze,FixFreeze) -FixStyle(gran/diag,FixGranDiag) -FixStyle(nve/gran,FixNVEGran) -FixStyle(pour,FixPour) -FixStyle(SHEAR_HISTORY,FixShearHistory) -FixStyle(wall/gran,FixWallGran) -#endif - -#ifdef PairInclude -#include "pair_gran_hertzian.h" -#include "pair_gran_history.h" -#include "pair_gran_no_history.h" -#endif - -#ifdef PairClass -PairStyle(gran/hertzian,PairGranHertzian) -PairStyle(gran/history,PairGranHistory) -PairStyle(gran/no_history,PairGranNoHistory) -#endif diff --git a/src/style_meam.h b/src/style_meam.h index 221a363f111f1f80d616cddc14f99186dfe920e7..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 100644 --- a/src/style_meam.h +++ b/src/style_meam.h @@ -1,20 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - 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. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef PairInclude -#include "pair_meam.h" -#endif - -#ifdef PairClass -PairStyle(meam,PairMEAM) -#endif diff --git a/src/style_opt.h b/src/style_opt.h index 061816e1366b1f813e6180a1b65ecfe1e3811ebb..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 100644 --- a/src/style_opt.h +++ b/src/style_opt.h @@ -1,30 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - 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. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef PairInclude -#include "pair_eam_opt.h" -#include "pair_eam_alloy_opt.h" -#include "pair_eam_fs_opt.h" -#include "pair_lj_charmm_coul_long_opt.h" -#include "pair_lj_cut_opt.h" -#include "pair_morse_opt.h" -#endif - -#ifdef PairClass -PairStyle(eam/opt,PairEAMOpt) -PairStyle(eam/alloy/opt,PairEAMAlloyOpt) -PairStyle(eam/fs/opt,PairEAMFSOpt) -PairStyle(lj/cut/opt,PairLJCutOpt) -PairStyle(lj/charmm/coul/long/opt,PairLJCharmmCoulLongOpt) -PairStyle(morse/opt,PairMorseOpt) -#endif diff --git a/src/style_poems.h b/src/style_poems.h index 0434d02bf87bed749af2c5f286aeab1f3cb093d9..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 100644 --- a/src/style_poems.h +++ b/src/style_poems.h @@ -1,20 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - 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. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef FixInclude -#include "fix_poems.h" -#endif - -#ifdef FixClass -FixStyle(poems,FixPOEMS) -#endif diff --git a/src/style_xtc.h b/src/style_xtc.h index 7110dda3121b80d9db78f85355f6563459cdf911..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 100644 --- a/src/style_xtc.h +++ b/src/style_xtc.h @@ -1,20 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - 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. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef DumpInclude -#include "dump_xtc.h" -#endif - -#ifdef DumpClass -DumpStyle(xtc,DumpXTC) -#endif diff --git a/tools/restart2data.cpp b/tools/restart2data.cpp index 642ff278494e6e37d62573217d89f8ede0904be4..a55e215f23f3bbb5d99757776566062637d9a5bb 100644 --- a/tools/restart2data.cpp +++ b/tools/restart2data.cpp @@ -366,7 +366,7 @@ main (int argc, char **argv) void header(FILE *fp, Data &data) { - char *version = "22 Jun 2007"; + char *version = "5 Oct 2007"; data.triclinic = 0;