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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3655 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-01-12 01:37:48 +00:00
parent 18b20f9c51
commit 2c643b7dc5
391 changed files with 2856 additions and 2809 deletions
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7
src/ASPHERE/Install.csh
View File

@ -5,8 +5,6 @@
if ($1 == 1) then
cp style_asphere.h ..
cp atom_vec_ellipsoid.cpp ..
cp compute_erotate_asphere.cpp ..
cp compute_temp_asphere.cpp ..
@ -27,9 +25,6 @@ if ($1 == 1) then
else if ($1 == 0) then
rm ../style_asphere.h
touch ../style_asphere.h
rm ../atom_vec_ellipsoid.cpp
rm ../compute_erotate_asphere.cpp
rm ../compute_temp_asphere.cpp
@ -48,7 +43,7 @@ else if ($1 == 0) then
rm ../pair_gayberne.h
rm ../pair_resquared.h
if (! -z ../style_gpu.h) then
if (-e ../pair_gayberne_gpu.h) then
cd ../GPU; csh -f Install.csh 0; csh -f Install.csh 1
endif

11
src/ASPHERE/atom_vec_ellipsoid.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef ATOM_VEC_ELLIPSOID_H
#define ATOM_VEC_ELLIPSOID_H
#ifdef ATOM_CLASS
AtomStyle(ellipsoid,AtomVecEllipsoid)
#else
#ifndef LMP_ATOM_VEC_ELLIPSOID_H
#define LMP_ATOM_VEC_ELLIPSOID_H
#include "atom_vec.h"
@ -62,3 +68,4 @@ class AtomVecEllipsoid : public AtomVec {
}
#endif
#endif

11
src/ASPHERE/compute_erotate_asphere.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef COMPUTE_EROTATE_ASPHERE_H
#define COMPUTE_EROTATE_ASPHERE_H
#ifdef COMPUTE_CLASS
ComputeStyle(erotate/asphere,ComputeERotateAsphere)
#else
#ifndef LMP_COMPUTE_EROTATE_ASPHERE_H
#define LMP_COMPUTE_EROTATE_ASPHERE_H
#include "compute.h"
@ -35,3 +41,4 @@ class ComputeERotateAsphere : public Compute {
}
#endif
#endif

11
src/ASPHERE/compute_temp_asphere.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef COMPUTE_TEMP_ASPHERE_H
#define COMPUTE_TEMP_ASPHERE_H
#ifdef COMPUTE_CLASS
ComputeStyle(temp/asphere,ComputeTempAsphere)
#else
#ifndef LMP_COMPUTE_TEMP_ASPHERE_H
#define LMP_COMPUTE_TEMP_ASPHERE_H
#include "compute.h"
@ -43,3 +49,4 @@ class ComputeTempAsphere : public Compute {
}
#endif
#endif

11
src/ASPHERE/fix_npt_asphere.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef FIX_NPT_ASPHERE_H
#define FIX_NPT_ASPHERE_H
#ifdef FIX_CLASS
FixStyle(npt/asphere,FixNPTAsphere)
#else
#ifndef LMP_FIX_NPT_ASPHERE_H
#define LMP_FIX_NPT_ASPHERE_H
#include "fix_npt.h"
@ -39,3 +45,4 @@ class FixNPTAsphere : public FixNPT {
}
#endif
#endif

11
src/ASPHERE/fix_nve_asphere.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef FIX_NVE_ASPHERE_H
#define FIX_NVE_ASPHERE_H
#ifdef FIX_CLASS
FixStyle(nve/asphere,FixNVEAsphere)
#else
#ifndef LMP_FIX_NVE_ASPHERE_H
#define LMP_FIX_NVE_ASPHERE_H
#include "fix_nve.h"
@ -37,3 +43,4 @@ class FixNVEAsphere : public FixNVE {
}
#endif
#endif

11
src/ASPHERE/fix_nvt_asphere.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef FIX_NVT_ASPHERE_H
#define FIX_NVT_ASPHERE_H
#ifdef FIX_CLASS
FixStyle(nvt/asphere,FixNVTAsphere)
#else
#ifndef LMP_FIX_NVT_ASPHERE_H
#define LMP_FIX_NVT_ASPHERE_H
#include "fix_nvt.h"
@ -38,3 +44,4 @@ class FixNVTAsphere : public FixNVT {
}
#endif
#endif

11
src/ASPHERE/pair_gayberne.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_GAYBERNE_H
#define PAIR_GAYBERNE_H
#ifdef PAIR_CLASS
PairStyle(gayberne,PairGayBerne)
#else
#ifndef LMP_PAIR_GAYBERNE_H
#define LMP_PAIR_GAYBERNE_H
#include "pair.h"
@ -62,3 +68,4 @@ class PairGayBerne : public Pair {
}
#endif
#endif

11
src/ASPHERE/pair_resquared.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_RESQUARED_H
#define PAIR_RESQUARED_H
#ifdef PAIR_CLASS
PairStyle(resquared,PairRESquared)
#else
#ifndef LMP_PAIR_RESQUARED_H
#define LMP_PAIR_RESQUARED_H
#include "pair.h"
@ -84,3 +90,4 @@ class PairRESquared : public Pair {
}
#endif
#endif

52
src/ASPHERE/style_asphere.h
View File

@ -1,52 +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_erotate_asphere.h"
#include "compute_temp_asphere.h"
#endif
#ifdef ComputeClass
ComputeStyle(erotate/asphere,ComputeERotateAsphere)
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"
#include "pair_resquared.h"
#endif
#ifdef PairClass
PairStyle(gayberne,PairGayBerne)
PairStyle(resquared,PairRESquared)
#endif

5
src/CLASS2/Install.csh
View File

@ -2,8 +2,6 @@
if ($1 == 1) then
cp style_class2.h ..
cp bond_class2.cpp ..
cp angle_class2.cpp ..
cp dihedral_class2.cpp ..
@ -24,9 +22,6 @@ if ($1 == 1) then
else if ($1 == 0) then
rm ../style_class2.h
touch ../style_class2.h
rm ../bond_class2.cpp
rm ../angle_class2.cpp
rm ../dihedral_class2.cpp

11
src/CLASS2/angle_class2.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef ANGLE_CLASS2_H
#define ANGLE_CLASS2_H
#ifdef ANGLE_CLASS
AngleStyle(class2,AngleClass2)
#else
#ifndef LMP_ANGLE_CLASS2_H
#define LMP_ANGLE_CLASS2_H
#include "stdio.h"
#include "angle.h"
@ -42,3 +48,4 @@ class AngleClass2 : public Angle {
}
#endif
#endif

11
src/CLASS2/bond_class2.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef BOND_CLASS2_H
#define BOND_CLASS2_H
#ifdef BOND_CLASS
BondStyle(class2,BondClass2)
#else
#ifndef LMP_BOND_CLASS2_H
#define LMP_BOND_CLASS2_H
#include "stdio.h"
#include "bond.h"
@ -39,3 +45,4 @@ class BondClass2 : public Bond {
}
#endif
#endif

11
src/CLASS2/dihedral_class2.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef DIHEDRAL_CLASS2_H
#define DIHEDRAL_CLASS2_H
#ifdef DIHEDRAL_CLASS
DihedralStyle(class2,DihedralClass2)
#else
#ifndef LMP_DIHEDRAL_CLASS2_H
#define LMP_DIHEDRAL_CLASS2_H
#include "stdio.h"
#include "dihedral.h"
@ -48,3 +54,4 @@ class DihedralClass2 : public Dihedral {
}
#endif
#endif

11
src/CLASS2/improper_class2.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef IMPROPER_CLASS2_H
#define IMPROPER_CLASS2_H
#ifdef IMPROPER_CLASS
ImproperStyle(class2,ImproperClass2)
#else
#ifndef LMP_IMPROPER_CLASS2_H
#define LMP_IMPROPER_CLASS2_H
#include "stdio.h"
#include "improper.h"
@ -43,3 +49,4 @@ class ImproperClass2 : public Improper {
}
#endif
#endif

11
src/CLASS2/pair_lj_class2.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_LJ_CLASS2_H
#define PAIR_LJ_CLASS2_H
#ifdef PAIR_CLASS
PairStyle(lj/class2,PairLJClass2)
#else
#ifndef LMP_PAIR_LJ_CLASS2_H
#define LMP_PAIR_LJ_CLASS2_H
#include "pair.h"
@ -44,3 +50,4 @@ class PairLJClass2 : public Pair {
}
#endif
#endif

11
src/CLASS2/pair_lj_class2_coul_cut.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_LJ_CLASS2_COUL_CUT_H
#define PAIR_LJ_CLASS2_COUL_CUT_H
#ifdef PAIR_CLASS
PairStyle(lj/class2/coul/cut,PairLJClass2CoulCut)
#else
#ifndef LMP_PAIR_LJ_CLASS2_COUL_CUT_H
#define LMP_PAIR_LJ_CLASS2_COUL_CUT_H
#include "pair.h"
@ -46,3 +52,4 @@ class PairLJClass2CoulCut : public Pair {
}
#endif
#endif

11
src/CLASS2/pair_lj_class2_coul_long.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_LJ_CLASS2_COUL_LONG_H
#define PAIR_LJ_CLASS2_COUL_LONG_H
#ifdef PAIR_CLASS
PairStyle(lj/class2/coul/long,PairLJClass2CoulLong)
#else
#ifndef LMP_PAIR_LJ_CLASS2_COUL_LONG_H
#define LMP_PAIR_LJ_CLASS2_COUL_LONG_H
#include "pair.h"
@ -48,3 +54,4 @@ class PairLJClass2CoulLong : public Pair {
}
#endif
#endif

56
src/CLASS2/style_class2.h
View File

@ -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

5
src/COLLOID/Install.csh
View File

@ -2,8 +2,6 @@
if ($1 == 1) then
cp style_colloid.h ..
cp atom_vec_colloid.cpp ..
cp fix_wall_colloid.cpp ..
cp pair_colloid.cpp ..
@ -18,9 +16,6 @@ if ($1 == 1) then
else if ($1 == 0) then
rm ../style_colloid.h
touch ../style_colloid.h
rm ../atom_vec_colloid.cpp
rm ../fix_wall_colloid.cpp
rm ../pair_colloid.cpp

11
src/COLLOID/atom_vec_colloid.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef ATOM_VEC_COLLOID_H
#define ATOM_VEC_COLLOID_H
#ifdef ATOM_CLASS
AtomStyle(colloid,AtomVecColloid)
#else
#ifndef LMP_ATOM_VEC_COLLOID_H
#define LMP_ATOM_VEC_COLLOID_H
#include "atom_vec.h"
@ -57,3 +63,4 @@ class AtomVecColloid : public AtomVec {
}
#endif
#endif

11
src/COLLOID/fix_wall_colloid.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef FIX_WALL_COLLOID_H
#define FIX_WALL_COLLOID_H
#ifdef FIX_CLASS
FixStyle(wall/colloid,FixWallColloid)
#else
#ifndef LMP_FIX_WALL_COLLOID_H
#define LMP_FIX_WALL_COLLOID_H
#include "fix_wall.h"
@ -32,3 +38,4 @@ class FixWallColloid : public FixWall {
}
#endif
#endif

11
src/COLLOID/pair_colloid.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_COLLOID_H
#define PAIR_COLLOID_H
#ifdef PAIR_CLASS
PairStyle(colloid,PairColloid)
#else
#ifndef LMP_PAIR_COLLOID_H
#define LMP_PAIR_COLLOID_H
#include "pair.h"
@ -46,3 +52,4 @@ class PairColloid : public Pair {
}
#endif
#endif

11
src/COLLOID/pair_lubricate.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_LUBRICATE_H
#define PAIR_LUBRICATE_H
#ifdef PAIR_CLASS
PairStyle(lubricate,PairLubricate)
#else
#ifndef LMP_PAIR_LUBRICATE_H
#define LMP_PAIR_LUBRICATE_H
#include "pair.h"
@ -47,3 +53,4 @@ class PairLubricate : public Pair {
}
#endif
#endif

11
src/COLLOID/pair_yukawa_colloid.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_YUKAWA_COLLOID_H
#define PAIR_YUKAWA_COLLOID_H
#ifdef PAIR_CLASS
PairStyle(yukawa/colloid,PairYukawaColloid)
#else
#ifndef LMP_PAIR_YUKAWA_COLLOID_H
#define LMP_PAIR_YUKAWA_COLLOID_H
#include "pair_yukawa.h"
@ -31,3 +37,4 @@ class PairYukawaColloid : public PairYukawa {
}
#endif
#endif

40
src/COLLOID/style_colloid.h
View File

@ -1,40 +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_colloid.h"
#endif
#ifdef AtomClass
AtomStyle(colloid,AtomVecColloid)
#endif
#ifdef FixInclude
#include "fix_wall_colloid.h"
#endif
#ifdef FixClass
FixStyle(wall/colloid,FixWallColloid)
#endif
#ifdef PairInclude
#include "pair_colloid.h"
#include "pair_lubricate.h"
#include "pair_yukawa_colloid.h"
#endif
#ifdef PairClass
PairStyle(colloid,PairColloid)
PairStyle(lubricate,PairLubricate)
PairStyle(yukawa/colloid,PairYukawaColloid)
#endif

5
src/DIPOLE/Install.csh
View File

@ -2,8 +2,6 @@
if ($1 == 1) then
cp style_dipole.h ..
cp atom_vec_dipole.cpp ..
cp pair_dipole_cut.cpp ..
@ -12,9 +10,6 @@ if ($1 == 1) then
else if ($1 == 0) then
rm ../style_dipole.h
touch ../style_dipole.h
rm ../atom_vec_dipole.cpp
rm ../pair_dipole_cut.cpp

11
src/DIPOLE/atom_vec_dipole.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef ATOM_VEC_DIPOLE_H
#define ATOM_VEC_DIPOLE_H
#ifdef ATOM_CLASS
AtomStyle(dipole,AtomVecDipole)
#else
#ifndef LMP_ATOM_VEC_DIPOLE_H
#define LMP_ATOM_VEC_DIPOLE_H
#include "atom_vec.h"
@ -61,3 +67,4 @@ class AtomVecDipole : public AtomVec {
}
#endif
#endif

11
src/DIPOLE/pair_dipole_cut.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_DIPOLE_CUT_H
#define PAIR_DIPOLE_CUT_H
#ifdef PAIR_CLASS
PairStyle(dipole/cut,PairDipoleCut)
#else
#ifndef LMP_PAIR_DIPOLE_CUT_H
#define LMP_PAIR_DIPOLE_CUT_H
#include "pair.h"
@ -45,3 +51,4 @@ class PairDipoleCut : public Pair {
}
#endif
#endif

28
src/DIPOLE/style_dipole.h
View File

@ -1,28 +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 PairInclude
#include "pair_dipole_cut.h"
#endif
#ifdef PairClass
PairStyle(dipole/cut,PairDipoleCut)
#endif

5
src/DSMC/Install.csh
View File

@ -2,17 +2,12 @@
if ($1 == 1) then
cp style_dsmc.h ..
cp pair_dsmc.cpp ..
cp pair_dsmc.h ..
else if ($1 == 0) then
rm ../style_dsmc.h
touch ../style_dsmc.h
rm ../pair_dsmc.cpp
rm ../pair_dsmc.h

11
src/DSMC/pair_dsmc.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_DSMC_H
#define PAIR_DSMC_H
#ifdef PAIR_CLASS
PairStyle(dsmc,PairDSMC)
#else
#ifndef LMP_PAIR_DSMC_H
#define LMP_PAIR_DSMC_H
#include "pair.h"
@ -100,3 +106,4 @@ class PairDSMC : public Pair {
}
#endif
#endif

20
src/DSMC/style_dsmc.h
View File

@ -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_dsmc.h"
#endif
#ifdef PairClass
PairStyle(dsmc,PairDSMC)
#endif

10
src/GPU/Install.csh
View File

@ -11,13 +11,6 @@ if ($1 == 1) then
sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(gpu_SYSPATH) |' ../Makefile.package
sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(gpu_SYSLIB) |' ../Makefile.package
cp style_gpu.h tmp.h
if (! -e ../pair_gayberne.cpp) then
grep -v gayberne tmp.h > tmp1.h
mv tmp1.h tmp.h
endif
mv tmp.h ../style_gpu.h
if (-e ../pair_gayberne.cpp) then
cp pair_gayberne_gpu.cpp ..
cp pair_gayberne_gpu.h ..
@ -31,9 +24,6 @@ else if ($1 == 0) then
sed -i -e 's/[^ \t]*gpu //' ../Makefile.package
sed -i -e 's/[^ \t]*gpu_[^ \t]*) //' ../Makefile.package
rm ../style_gpu.h
touch ../style_gpu.h
rm ../pair_gayberne_gpu.cpp
rm ../pair_lj_cut_gpu.cpp

11
src/GPU/pair_gayberne_gpu.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_GPU_H
#define PAIR_GPU_H
#ifdef PAIR_CLASS
PairStyle(gayberne/gpu,PairGayBerneGPU)
#else
#ifndef LMP_PAIR_GPU_H
#define LMP_PAIR_GPU_H
#include "pair_gayberne.h"
#define MAX_GPU_THREADS 4
@ -41,3 +47,4 @@ class PairGayBerneGPU : public PairGayBerne {
}
#endif
#endif

11
src/GPU/pair_lj_cut_gpu.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_LJ_CUT_GPU_H
#define PAIR_LJ_CUT_GPU_H
#ifdef PAIR_CLASS
PairStyle(lj/cut/gpu,PairLJCutGPU)
#else
#ifndef LMP_PAIR_LJ_CUT_GPU_H
#define LMP_PAIR_LJ_CUT_GPU_H
#include "pair_lj_cut.h"
@ -38,3 +44,4 @@ class PairLJCutGPU : public PairLJCut {
}
#endif
#endif

41
src/GPU/style_gpu.h
View File

@ -1,41 +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
#endif
#ifdef AtomClass
# endif
#ifdef ComputeInclude
#endif
#ifdef ComputeClass
#endif
#ifdef FixInclude
#endif
#ifdef FixClass
#endif
#ifdef PairInclude
#include "pair_lj_cut_gpu.h"
#include "pair_gayberne_gpu.h"
#endif
#ifdef PairClass
PairStyle(lj/cut/gpu,PairLJCutGPU)
PairStyle(gayberne/gpu,PairGayBerneGPU)
#endif

5
src/GRANULAR/Install.csh
View File

@ -2,8 +2,6 @@
if ($1 == 1) then
cp style_granular.h ..
cp atom_vec_granular.cpp ..
cp fix_freeze.cpp ..
cp fix_pour.cpp ..
@ -22,9 +20,6 @@ if ($1 == 1) then
else if ($1 == 0) then
rm ../style_granular.h
touch ../style_granular.h
rm ../atom_vec_granular.cpp
rm ../fix_freeze.cpp
rm ../fix_pour.cpp

11
src/GRANULAR/atom_vec_granular.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef ATOM_VEC_GRANULAR_H
#define ATOM_VEC_GRANULAR_H
#ifdef ATOM_CLASS
AtomStyle(granular,AtomVecGranular)
#else
#ifndef LMP_ATOM_VEC_GRANULAR_H
#define LMP_ATOM_VEC_GRANULAR_H
#include "atom_vec.h"
@ -62,3 +68,4 @@ class AtomVecGranular : public AtomVec {
}
#endif
#endif

11
src/GRANULAR/fix_freeze.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef FIX_FREEZE_H
#define FIX_FREEZE_H
#ifdef FIX_CLASS
FixStyle(freeze,FixFreeze)
#else
#ifndef LMP_FIX_FREEZE_H
#define LMP_FIX_FREEZE_H
#include "fix.h"
@ -36,3 +42,4 @@ class FixFreeze : public Fix {
}
#endif
#endif

11
src/GRANULAR/fix_pour.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef FIX_POUR_H
#define FIX_POUR_H
#ifdef FIX_CLASS
FixStyle(pour,FixPour)
#else
#ifndef LMP_FIX_POUR_H
#define LMP_FIX_POUR_H
#include "fix.h"
@ -58,3 +64,4 @@ class FixPour : public Fix {
}
#endif
#endif

11
src/GRANULAR/fix_wall_gran.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef FIX_WALL_GRAN_H
#define FIX_WALL_GRAN_H
#ifdef FIX_CLASS
FixStyle(wall/gran,FixWallGran)
#else
#ifndef LMP_FIX_WALL_GRAN_H
#define LMP_FIX_WALL_GRAN_H
#include "fix.h"
@ -65,3 +71,4 @@ class FixWallGran : public Fix {
}
#endif
#endif

11
src/GRANULAR/pair_gran_hertz_history.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_GRAN_HERTZ_HISTORY_H
#define PAIR_GRAN_HERTZ_HISTORY_H
#ifdef PAIR_CLASS
PairStyle(gran/hertz/history,PairGranHertzHistory)
#else
#ifndef LMP_PAIR_GRAN_HERTZ_HISTORY_H
#define LMP_PAIR_GRAN_HERTZ_HISTORY_H
#include "pair_gran_hooke_history.h"
@ -28,3 +34,4 @@ class PairGranHertzHistory : public PairGranHookeHistory {
}
#endif
#endif

11
src/GRANULAR/pair_gran_hooke.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_GRAN_HOOKE_H
#define PAIR_GRAN_HOOKE_H
#ifdef PAIR_CLASS
PairStyle(gran/hooke,PairGranHooke)
#else
#ifndef LMP_PAIR_GRAN_HOOKE_H
#define LMP_PAIR_GRAN_HOOKE_H
#include "pair_gran_hooke_history.h"
@ -27,3 +33,4 @@ class PairGranHooke : public PairGranHookeHistory {
}
#endif
#endif

11
src/GRANULAR/pair_gran_hooke_history.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_GRAN_HOOKE_HISTORY_H
#define PAIR_GRAN_HOOKE_HISTORY_H
#ifdef PAIR_CLASS
PairStyle(gran/hooke/history,PairGranHookeHistory)
#else
#ifndef LMP_PAIR_GRAN_HOOKE_HISTORY_H
#define LMP_PAIR_GRAN_HOOKE_HISTORY_H
#include "pair.h"
@ -48,3 +54,4 @@ class PairGranHookeHistory : public Pair {
}
#endif
#endif

46
src/GRANULAR/style_granular.h
View File

@ -1,46 +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_pour.h"
#include "fix_shear_history.h"
#include "fix_wall_gran.h"
#endif
#ifdef FixClass
FixStyle(freeze,FixFreeze)
FixStyle(pour,FixPour)
FixStyle(SHEAR_HISTORY,FixShearHistory)
FixStyle(wall/gran,FixWallGran)
#endif
#ifdef PairInclude
#include "pair_gran_hertz_history.h"
#include "pair_gran_hooke.h"
#include "pair_gran_hooke_history.h"
#endif
#ifdef PairClass
PairStyle(gran/hertz/history,PairGranHertzHistory)
PairStyle(gran/hooke,PairGranHooke)
PairStyle(gran/hooke/history,PairGranHookeHistory)
#endif

7
src/KSPACE/Install.csh
View File

@ -5,8 +5,6 @@
if ($1 == 1) then
cp style_kspace.h ..
cp ewald.cpp ..
cp pppm.cpp ..
cp pppm_tip4p.cpp ..
@ -37,9 +35,6 @@ if ($1 == 1) then
else if ($1 == 0) then
rm ../style_kspace.h
touch ../style_kspace.h
rm ../ewald.cpp
rm ../pppm.cpp
rm ../pppm_tip4p.cpp
@ -68,7 +63,7 @@ else if ($1 == 0) then
rm ../remap.h
rm ../remap_wrap.h
if (! -z ../style_opt.h) then
if (-e ../pair_lj_charmm_coul_long_opt.h) then
cd ../OPT; csh -f Install.csh 0; csh -f Install.csh 1
endif

13
src/KSPACE/ewald.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef EWALD_H
#define EWALD_H
#ifdef KSPACE_CLASS
KSpaceStyle(ewald,Ewald)
#else
#ifndef LMP_EWALD_H
#define LMP_EWALD_H
#include "kspace.h"
@ -53,5 +59,4 @@ class Ewald : public KSpace {
}
#endif
#endif

4
src/KSPACE/fft3d_wrap.h
View File

@ -11,8 +11,8 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef FFT3D_WRAP_H
#define FFT3D_WRAP_H
#ifndef LMP_FFT3D_WRAP_H
#define LMP_FFT3D_WRAP_H
#include "pointers.h"
#include "fft3d.h"

11
src/KSPACE/pair_born_coul_long.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_BORN_COUL_LONG_H
#define PAIR_BORN_COUL_LONG_H
#ifdef PAIR_CLASS
PairStyle(born/coul/long,PairBornCoulLong)
#else
#ifndef LMP_PAIR_BORN_COUL_LONG_H
#define LMP_PAIR_BORN_COUL_LONG_H
#include "pair.h"
@ -48,3 +54,4 @@ class PairBornCoulLong : public Pair {
}
#endif
#endif

11
src/KSPACE/pair_buck_coul_long.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_BUCK_COUL_LONG_H
#define PAIR_BUCK_COUL_LONG_H
#ifdef PAIR_CLASS
PairStyle(buck/coul/long,PairBuckCoulLong)
#else
#ifndef LMP_PAIR_BUCK_COUL_LONG_H
#define LMP_PAIR_BUCK_COUL_LONG_H
#include "pair.h"
@ -48,3 +54,4 @@ class PairBuckCoulLong : public Pair {
}
#endif
#endif

11
src/KSPACE/pair_coul_long.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_COUL_LONG_H
#define PAIR_COUL_LONG_H
#ifdef PAIR_CLASS
PairStyle(coul/long,PairCoulLong)
#else
#ifndef LMP_PAIR_COUL_LONG_H
#define LMP_PAIR_COUL_LONG_H
#include "pair.h"
@ -52,3 +58,4 @@ class PairCoulLong : public Pair {
}
#endif
#endif

11
src/KSPACE/pair_lj_charmm_coul_long.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_LJ_CHARMM_COUL_LONG_H
#define PAIR_LJ_CHARMM_COUL_LONG_H
#ifdef PAIR_CLASS
PairStyle(lj/charmm/coul/long,PairLJCharmmCoulLong)
#else
#ifndef LMP_PAIR_LJ_CHARMM_COUL_LONG_H
#define LMP_PAIR_LJ_CHARMM_COUL_LONG_H
#include "pair.h"
@ -65,3 +71,4 @@ class PairLJCharmmCoulLong : public Pair {
}
#endif
#endif

11
src/KSPACE/pair_lj_cut_coul_long.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_LJ_CUT_COUL_LONG_H
#define PAIR_LJ_CUT_COUL_LONG_H
#ifdef PAIR_CLASS
PairStyle(lj/cut/coul/long,PairLJCutCoulLong)
#else
#ifndef LMP_PAIR_LJ_CUT_COUL_LONG_H
#define LMP_PAIR_LJ_CUT_COUL_LONG_H
#include "pair.h"
@ -61,3 +67,4 @@ class PairLJCutCoulLong : public Pair {
}
#endif
#endif

11
src/KSPACE/pair_lj_cut_coul_long_tip4p.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_LJ_CUT_COUL_LONG_TIP4P_H
#define PAIR_LJ_CUT_COUL_LONG_TIP4P_H
#ifdef PAIR_CLASS
PairStyle(lj/cut/coul/long/tip4p,PairLJCutCoulLongTIP4P)
#else
#ifndef LMP_PAIR_LJ_CUT_COUL_LONG_TIP4P_H
#define LMP_PAIR_LJ_CUT_COUL_LONG_TIP4P_H
#include "pair_lj_cut_coul_long.h"
@ -40,3 +46,4 @@ class PairLJCutCoulLongTIP4P : public PairLJCutCoulLong {
}
#endif
#endif

11
src/KSPACE/pppm.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PPPM_H
#define PPPM_H
#ifdef KSPACE_CLASS
KSpaceStyle(pppm,PPPM)
#else
#ifndef LMP_PPPM_H
#define LMP_PPPM_H
#include "kspace.h"
@ -96,3 +102,4 @@ class PPPM : public KSpace {
}
#endif
#endif

11
src/KSPACE/pppm_tip4p.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PPPM_TIP4P_H
#define PPPM_TIP4P_H
#ifdef KSPACE_CLASS
KSpaceStyle(pppm/tip4p,PPPMTIP4P)
#else
#ifndef LMP_PPPM_TIP4P_H
#define LMP_PPPM_TIP4P_H
#include "pppm.h"
@ -33,3 +39,4 @@ class PPPMTIP4P : public PPPM {
}
#endif
#endif

4
src/KSPACE/remap_wrap.h
View File

@ -11,8 +11,8 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef REMAP_WRAP_H
#define REMAP_WRAP_H
#ifndef LMP_REMAP_WRAP_H
#define LMP_REMAP_WRAP_H
#include "pointers.h"
#include "remap.h"

42
src/KSPACE/style_kspace.h
View File

@ -1,42 +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 KSpaceInclude
#include "ewald.h"
#include "pppm.h"
#include "pppm_tip4p.h"
#endif
#ifdef KSpaceClass
KSpaceStyle(ewald,Ewald)
KSpaceStyle(pppm,PPPM)
KSpaceStyle(pppm/tip4p,PPPMTIP4P)
#endif
#ifdef PairInclude
#include "pair_born_coul_long.h"
#include "pair_buck_coul_long.h"
#include "pair_coul_long.h"
#include "pair_lj_cut_coul_long.h"
#include "pair_lj_cut_coul_long_tip4p.h"
#include "pair_lj_charmm_coul_long.h"
#endif
#ifdef PairClass
PairStyle(born/coul/long,PairBornCoulLong)
PairStyle(buck/coul/long,PairBuckCoulLong)
PairStyle(coul/long,PairCoulLong)
PairStyle(lj/cut/coul/long,PairLJCutCoulLong)
PairStyle(lj/cut/coul/long/tip4p,PairLJCutCoulLongTIP4P)
PairStyle(lj/charmm/coul/long,PairLJCharmmCoulLong)
#endif

7
src/MANYBODY/Install.csh
View File

@ -5,8 +5,6 @@
if ($1 == 1) then
cp style_manybody.h ..
cp pair_airebo.cpp ..
cp pair_eam.cpp ..
cp pair_eam_alloy.cpp ..
@ -25,9 +23,6 @@ if ($1 == 1) then
else if ($1 == 0) then
rm ../style_manybody.h
touch ../style_manybody.h
rm ../pair_airebo.cpp
rm ../pair_eam.cpp
rm ../pair_eam_alloy.cpp
@ -44,7 +39,7 @@ else if ($1 == 0) then
rm ../pair_tersoff.h
rm ../pair_tersoff_zbl.h
if (! -z ../style_opt.h) then
if (-e ../pair_eam_opt.h) then
cd ../OPT; csh -f Install.csh 0; csh -f Install.csh 1
endif

11
src/MANYBODY/pair_airebo.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_AIREBO_H
#define PAIR_AIREBO_H
#ifdef PAIR_CLASS
PairStyle(airebo,PairAIREBO)
#else
#ifndef LMP_PAIR_AIREBO_H
#define LMP_PAIR_AIREBO_H
#include "pair.h"
@ -111,3 +117,4 @@ class PairAIREBO : public Pair {
}
#endif
#endif

11
src/MANYBODY/pair_eam.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_EAM_H
#define PAIR_EAM_H
#ifdef PAIR_CLASS
PairStyle(eam,PairEAM)
#else
#ifndef LMP_PAIR_EAM_H
#define LMP_PAIR_EAM_H
#include "pair.h"
@ -100,3 +106,4 @@ class PairEAM : public Pair {
}
#endif
#endif

11
src/MANYBODY/pair_eam_alloy.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_EAM_ALLOY_H
#define PAIR_EAM_ALLOY_H
#ifdef PAIR_CLASS
PairStyle(eam/alloy,PairEAMAlloy)
#else
#ifndef LMP_PAIR_EAM_ALLOY_H
#define LMP_PAIR_EAM_ALLOY_H
#include "pair_eam.h"
@ -34,3 +40,4 @@ class PairEAMAlloy : virtual public PairEAM {
}
#endif
#endif

11
src/MANYBODY/pair_eam_fs.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_EAM_FS_H
#define PAIR_EAM_FS_H
#ifdef PAIR_CLASS
PairStyle(eam/fs,PairEAMFS)
#else
#ifndef LMP_PAIR_EAM_FS_H
#define LMP_PAIR_EAM_FS_H
#include "pair_eam.h"
@ -34,3 +40,4 @@ class PairEAMFS : virtual public PairEAM {
}
#endif
#endif

11
src/MANYBODY/pair_sw.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_SW_H
#define PAIR_SW_H
#ifdef PAIR_CLASS
PairStyle(sw,PairSW)
#else
#ifndef LMP_PAIR_SW_H
#define LMP_PAIR_SW_H
#include "pair.h"
@ -61,3 +67,4 @@ class PairSW : public Pair {
}
#endif
#endif

11
src/MANYBODY/pair_tersoff.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_TERSOFF_H
#define PAIR_TERSOFF_H
#ifdef PAIR_CLASS
PairStyle(tersoff,PairTersoff)
#else
#ifndef LMP_PAIR_TERSOFF_H
#define LMP_PAIR_TERSOFF_H
#include "pair.h"
@ -94,3 +100,4 @@ class PairTersoff : public Pair {
}
#endif
#endif

11
src/MANYBODY/pair_tersoff_zbl.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_TERSOFF_ZBL_H
#define PAIR_TERSOFF_ZBL_H
#ifdef PAIR_CLASS
PairStyle(tersoff/zbl,PairTersoffZBL)
#else
#ifndef LMP_PAIR_TERSOFF_ZBL_H
#define LMP_PAIR_TERSOFF_ZBL_H
#include "pair_tersoff.h"
@ -41,3 +47,4 @@ class PairTersoffZBL : public PairTersoff {
}
#endif
#endif

32
src/MANYBODY/style_manybody.h
View File

@ -1,32 +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_airebo.h"
#include "pair_eam.h"
#include "pair_eam_alloy.h"
#include "pair_eam_fs.h"
#include "pair_sw.h"
#include "pair_tersoff.h"
#include "pair_tersoff_zbl.h"
#endif
#ifdef PairClass
PairStyle(airebo,PairAIREBO)
PairStyle(eam,PairEAM)
PairStyle(eam/alloy,PairEAMAlloy)
PairStyle(eam/fs,PairEAMFS)
PairStyle(sw,PairSW)
PairStyle(tersoff,PairTersoff)
PairStyle(tersoff/zbl,PairTersoffZBL)
#endif

5
src/MEAM/Install.csh
View File

@ -11,8 +11,6 @@ if ($1 == 1) then
sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(meam_SYSPATH) |' ../Makefile.package
sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(meam_SYSLIB) |' ../Makefile.package
cp style_meam.h ..
cp pair_meam.cpp ..
cp pair_meam.h ..
@ -22,9 +20,6 @@ else if ($1 == 0) then
sed -i -e 's/[^ \t]*meam //' ../Makefile.package
sed -i -e 's/[^ \t]*meam_[^ \t]*) //' ../Makefile.package
rm ../style_meam.h
touch ../style_meam.h
rm ../pair_meam.cpp
rm ../pair_meam.h

11
src/MEAM/pair_meam.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_MEAM_H
#define PAIR_MEAM_H
#ifdef PAIR_CLASS
PairStyle(meam,PairMEAM)
#else
#ifndef LMP_PAIR_MEAM_H
#define LMP_PAIR_MEAM_H
extern "C" {
void meam_setup_global_(int *, int *, double *, int *, double *, double *,
@ -95,3 +101,4 @@ class PairMEAM : public Pair {
}
#endif
#endif

20
src/MEAM/style_meam.h
View File

@ -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

5
src/MOLECULE/Install.csh
View File

@ -5,8 +5,6 @@
if ($1 == 1) then
cp style_molecule.h ..
cp angle.cpp ..
cp angle_charmm.cpp ..
cp angle_cosine.cpp ..
@ -85,9 +83,6 @@ if ($1 == 1) then
else if ($1 == 0) then
rm ../style_molecule.h
touch ../style_molecule.h
rm ../angle.cpp
rm ../angle_charmm.cpp
rm ../angle_cosine.cpp

11
src/MOLECULE/angle_charmm.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef ANGLE_CHARMM_H
#define ANGLE_CHARMM_H
#ifdef ANGLE_CLASS
AngleStyle(charmm,AngleCharmm)
#else
#ifndef LMP_ANGLE_CHARMM_H
#define LMP_ANGLE_CHARMM_H
#include "stdio.h"
#include "angle.h"
@ -39,3 +45,4 @@ class AngleCharmm : public Angle {
}
#endif
#endif

11
src/MOLECULE/angle_cosine.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef ANGLE_COSINE_H
#define ANGLE_COSINE_H
#ifdef ANGLE_CLASS
AngleStyle(cosine,AngleCosine)
#else
#ifndef LMP_ANGLE_COSINE_H
#define LMP_ANGLE_COSINE_H
#include "stdio.h"
#include "angle.h"
@ -39,3 +45,4 @@ class AngleCosine : public Angle {
}
#endif
#endif

11
src/MOLECULE/angle_cosine_delta.h
View File

@ -8,8 +8,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef ANGLE_COSINE_DELTA_H
#define ANGLE_COSINE_DELTA_H
#ifdef ANGLE_CLASS
AngleStyle(cosine/delta,AngleCosineDelta)
#else
#ifndef LMP_ANGLE_COSINE_DELTA_H
#define LMP_ANGLE_COSINE_DELTA_H
#include "stdio.h"
#include "angle_cosine_squared.h"
@ -26,3 +32,4 @@ class AngleCosineDelta : public AngleCosineSquared {
}
#endif
#endif

11
src/MOLECULE/angle_cosine_squared.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef ANGLE_COSINE_SQUARED_H
#define ANGLE_COSINE_SQUARED_H
#ifdef ANGLE_CLASS
AngleStyle(cosine/squared,AngleCosineSquared)
#else
#ifndef LMP_ANGLE_COSINE_SQUARED_H
#define LMP_ANGLE_COSINE_SQUARED_H
#include "stdio.h"
#include "angle.h"
@ -39,3 +45,4 @@ class AngleCosineSquared : public Angle {
}
#endif
#endif

11
src/MOLECULE/angle_harmonic.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef ANGLE_HARMONIC_H
#define ANGLE_HARMONIC_H
#ifdef ANGLE_CLASS
AngleStyle(harmonic,AngleHarmonic)
#else
#ifndef LMP_ANGLE_HARMONIC_H
#define LMP_ANGLE_HARMONIC_H
#include "stdio.h"
#include "angle.h"
@ -39,3 +45,4 @@ class AngleHarmonic : public Angle {
}
#endif
#endif

11
src/MOLECULE/angle_hybrid.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef ANGLE_HYBRID_H
#define ANGLE_HYBRID_H
#ifdef ANGLE_CLASS
AngleStyle(hybrid,AngleHybrid)
#else
#ifndef LMP_ANGLE_HYBRID_H
#define LMP_ANGLE_HYBRID_H
#include "stdio.h"
#include "angle.h"
@ -48,3 +54,4 @@ class AngleHybrid : public Angle {
}
#endif
#endif

11
src/MOLECULE/angle_table.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef ANGLE_TABLE_H
#define ANGLE_TABLE_H
#ifdef ANGLE_CLASS
AngleStyle(table,AngleTable)
#else
#ifndef LMP_ANGLE_TABLE_H
#define LMP_ANGLE_TABLE_H
#include "stdio.h"
#include "angle.h"
@ -67,3 +73,4 @@ class AngleTable : public Angle {
}
#endif
#endif

11
src/MOLECULE/atom_vec_angle.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef ATOM_VEC_ANGLE_H
#define ATOM_VEC_ANGLE_H
#ifdef ATOM_CLASS
AtomStyle(angle,AtomVecAngle)
#else
#ifndef LMP_ATOM_VEC_ANGLE_H
#define LMP_ATOM_VEC_ANGLE_H
#include "atom_vec.h"
@ -61,3 +67,4 @@ class AtomVecAngle : public AtomVec {
}
#endif
#endif

11
src/MOLECULE/atom_vec_bond.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef ATOM_VEC_BOND_H
#define ATOM_VEC_BOND_H
#ifdef ATOM_CLASS
AtomStyle(bond,AtomVecBond)
#else
#ifndef LMP_ATOM_VEC_BOND_H
#define LMP_ATOM_VEC_BOND_H
#include "atom_vec.h"
@ -58,3 +64,4 @@ class AtomVecBond : public AtomVec {
}
#endif
#endif

11
src/MOLECULE/atom_vec_full.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef ATOM_VEC_FULL_H
#define ATOM_VEC_FULL_H
#ifdef ATOM_CLASS
AtomStyle(full,AtomVecFull)
#else
#ifndef LMP_ATOM_VEC_FULL_H
#define LMP_ATOM_VEC_FULL_H
#include "atom_vec.h"
@ -68,3 +74,4 @@ class AtomVecFull : public AtomVec {
}
#endif
#endif

11
src/MOLECULE/atom_vec_molecular.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef ATOM_VEC_MOLECULAR_H
#define ATOM_VEC_MOLECULAR_H
#ifdef ATOM_CLASS
AtomStyle(molecular,AtomVecMolecular)
#else
#ifndef LMP_ATOM_VEC_MOLECULAR_H
#define LMP_ATOM_VEC_MOLECULAR_H
#include "atom_vec.h"
@ -67,3 +73,4 @@ class AtomVecMolecular : public AtomVec {
}
#endif
#endif

11
src/MOLECULE/bond_fene.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef BOND_FENE_H
#define BOND_FENE_H
#ifdef BOND_CLASS
BondStyle(fene,BondFENE)
#else
#ifndef LMP_BOND_FENE_H
#define LMP_BOND_FENE_H
#include "stdio.h"
#include "bond.h"
@ -41,3 +47,4 @@ class BondFENE : public Bond {
}
#endif
#endif

11
src/MOLECULE/bond_fene_expand.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef BOND_FENE_EXPAND_H
#define BOND_FENE_EXPAND_H
#ifdef BOND_CLASS
BondStyle(fene/expand,BondFENEExpand)
#else
#ifndef LMP_BOND_FENE_EXPAND_H
#define LMP_BOND_FENE_EXPAND_H
#include "stdio.h"
#include "bond.h"
@ -41,3 +47,4 @@ class BondFENEExpand : public Bond {
}
#endif
#endif

11
src/MOLECULE/bond_harmonic.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef BOND_HARMONIC_H
#define BOND_HARMONIC_H
#ifdef BOND_CLASS
BondStyle(harmonic,BondHarmonic)
#else
#ifndef LMP_BOND_HARMONIC_H
#define LMP_BOND_HARMONIC_H
#include "stdio.h"
#include "bond.h"
@ -39,3 +45,4 @@ class BondHarmonic : public Bond {
}
#endif
#endif

11
src/MOLECULE/bond_morse.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef BOND_MORSE_H
#define BOND_MORSE_H
#ifdef BOND_CLASS
BondStyle(morse,BondMorse)
#else
#ifndef LMP_BOND_MORSE_H
#define LMP_BOND_MORSE_H
#include "stdio.h"
#include "bond.h"
@ -39,3 +45,4 @@ class BondMorse : public Bond {
}
#endif
#endif

11
src/MOLECULE/bond_nonlinear.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef BOND_NONLINEAR_H
#define BOND_NONLINEAR_H
#ifdef BOND_CLASS
BondStyle(nonlinear,BondNonlinear)
#else
#ifndef LMP_BOND_NONLINEAR_H
#define LMP_BOND_NONLINEAR_H
#include "stdio.h"
#include "bond.h"
@ -39,3 +45,4 @@ class BondNonlinear : public Bond {
}
#endif
#endif

11
src/MOLECULE/bond_quartic.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------ */
#ifndef BOND_QUARTIC_H
#define BOND_QUARTIC_H
#ifdef BOND_CLASS
BondStyle(quartic,BondQuartic)
#else
#ifndef LMP_BOND_QUARTIC_H
#define LMP_BOND_QUARTIC_H
#include "stdio.h"
#include "bond.h"
@ -41,3 +47,4 @@ class BondQuartic : public Bond {
}
#endif
#endif

11
src/MOLECULE/bond_table.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef BOND_TABLE_H
#define BOND_TABLE_H
#ifdef BOND_CLASS
BondStyle(table,BondTable)
#else
#ifndef LMP_BOND_TABLE_H
#define LMP_BOND_TABLE_H
#include "stdio.h"
#include "bond.h"
@ -67,3 +73,4 @@ class BondTable : public Bond {
}
#endif
#endif

11
src/MOLECULE/dihedral_charmm.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef DIHEDRAL_CHARMM_H
#define DIHEDRAL_CHARMM_H
#ifdef DIHEDRAL_CLASS
DihedralStyle(charmm,DihedralCharmm)
#else
#ifndef LMP_DIHEDRAL_CHARMM_H
#define LMP_DIHEDRAL_CHARMM_H
#include "stdio.h"
#include "dihedral.h"
@ -41,3 +47,4 @@ class DihedralCharmm : public Dihedral {
}
#endif
#endif

11
src/MOLECULE/dihedral_harmonic.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef DIHEDRAL_HARMONIC_H
#define DIHEDRAL_HARMONIC_H
#ifdef DIHEDRAL_CLASS
DihedralStyle(harmonic,DihedralHarmonic)
#else
#ifndef LMP_DIHEDRAL_HARMONIC_H
#define LMP_DIHEDRAL_HARMONIC_H
#include "stdio.h"
#include "dihedral.h"
@ -38,3 +44,4 @@ class DihedralHarmonic : public Dihedral {
}
#endif
#endif

11
src/MOLECULE/dihedral_helix.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef DIHEDRAL_HELIX_H
#define DIHEDRAL_HELIX_H
#ifdef DIHEDRAL_CLASS
DihedralStyle(helix,DihedralHelix)
#else
#ifndef LMP_DIHEDRAL_HELIX_H
#define LMP_DIHEDRAL_HELIX_H
#include "stdio.h"
#include "dihedral.h"
@ -37,3 +43,4 @@ class DihedralHelix : public Dihedral {
}
#endif
#endif

11
src/MOLECULE/dihedral_hybrid.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef DIHEDRAL_HYBRID_H
#define DIHEDRAL_HYBRID_H
#ifdef DIHEDRAL_CLASS
DihedralStyle(hybrid,DihedralHybrid)
#else
#ifndef LMP_DIHEDRAL_HYBRID_H
#define LMP_DIHEDRAL_HYBRID_H
#include "stdio.h"
#include "dihedral.h"
@ -47,3 +53,4 @@ class DihedralHybrid : public Dihedral {
}
#endif
#endif

11
src/MOLECULE/dihedral_multi_harmonic.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef DIHEDRAL_MULTI_HARMONIC_H
#define DIHEDRAL_MULTI_HARMONIC_H
#ifdef DIHEDRAL_CLASS
DihedralStyle(multi/harmonic,DihedralMultiHarmonic)
#else
#ifndef LMP_DIHEDRAL_MULTI_HARMONIC_H
#define LMP_DIHEDRAL_MULTI_HARMONIC_H
#include "stdio.h"
#include "dihedral.h"
@ -37,3 +43,4 @@ class DihedralMultiHarmonic : public Dihedral {
}
#endif
#endif

11
src/MOLECULE/dihedral_opls.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef DIHEDRAL_OPLS_H
#define DIHEDRAL_OPLS_H
#ifdef DIHEDRAL_CLASS
DihedralStyle(opls,DihedralOPLS)
#else
#ifndef LMP_DIHEDRAL_OPLS_H
#define LMP_DIHEDRAL_OPLS_H
#include "stdio.h"
#include "dihedral.h"
@ -37,3 +43,4 @@ class DihedralOPLS : public Dihedral {
}
#endif
#endif

11
src/MOLECULE/fix_bond_break.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef FIX_BOND_BREAK_H
#define FIX_BOND_BREAK_H
#ifdef FIX_CLASS
FixStyle(bond/break,FixBondBreak)
#else
#ifndef LMP_FIX_BOND_BREAK_H
#define LMP_FIX_BOND_BREAK_H
#include "fix.h"
@ -51,3 +57,4 @@ class FixBondBreak : public Fix {
}
#endif
#endif

11
src/MOLECULE/fix_bond_create.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef FIX_BOND_CREATE_H
#define FIX_BOND_CREATE_H
#ifdef FIX_CLASS
FixStyle(bond/create,FixBondCreate)
#else
#ifndef LMP_FIX_BOND_CREATE_H
#define LMP_FIX_BOND_CREATE_H
#include "fix.h"
@ -65,3 +71,4 @@ class FixBondCreate : public Fix {
}
#endif
#endif

11
src/MOLECULE/fix_bond_swap.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef FIX_BONDSWAP_H
#define FIX_BONDSWAP_H
#ifdef FIX_CLASS
FixStyle(bond/swap,FixBondSwap)
#else
#ifndef LMP_FIX_BONDSWAP_H
#define LMP_FIX_BONDSWAP_H
#include "fix.h"
#include "pair.h"
@ -54,3 +60,4 @@ class FixBondSwap : public Fix {
}
#endif
#endif

11
src/MOLECULE/improper_cvff.h
View File

@ -11,8 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef IMPROPER_CVFF_H
#define IMPROPER_CVFF_H
#ifdef IMPROPER_CLASS
ImproperStyle(cvff,ImproperCvff)
#else
#ifndef LMP_IMPROPER_CVFF_H
#define LMP_IMPROPER_CVFF_H
#include "stdio.h"
#include "improper.h"
@ -38,3 +44,4 @@ class ImproperCvff : public Improper {
}
#endif
#endif

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