diff --git a/src/ASPHERE/Install.csh b/src/ASPHERE/Install.csh index e2721ee72467830c0052de4b2207b4b86cafb660..d06183e82904590dd7f4db1cda4fd53484e15152 100644 --- a/src/ASPHERE/Install.csh +++ b/src/ASPHERE/Install.csh @@ -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 diff --git a/src/ASPHERE/atom_vec_ellipsoid.h b/src/ASPHERE/atom_vec_ellipsoid.h index f517081b71715efcf3a39773e6bf2f22f9dc69ed..4f6967f4bddc81ecbb25ef2acb5a21b71253b2e8 100755 --- a/src/ASPHERE/atom_vec_ellipsoid.h +++ b/src/ASPHERE/atom_vec_ellipsoid.h @@ -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 diff --git a/src/ASPHERE/compute_erotate_asphere.h b/src/ASPHERE/compute_erotate_asphere.h index f058822fb8bd5942ed08c019906d254b85f48bc0..fa0da01f6efa8c18f36d96b74661773df81a62ab 100644 --- a/src/ASPHERE/compute_erotate_asphere.h +++ b/src/ASPHERE/compute_erotate_asphere.h @@ -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 diff --git a/src/ASPHERE/compute_temp_asphere.h b/src/ASPHERE/compute_temp_asphere.h index dc1c52107c9381a62a9e987776124beccffbacff..17ffbd57ad62a73f97e39c5bd2f7b9b2c040289e 100755 --- a/src/ASPHERE/compute_temp_asphere.h +++ b/src/ASPHERE/compute_temp_asphere.h @@ -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 diff --git a/src/ASPHERE/fix_npt_asphere.h b/src/ASPHERE/fix_npt_asphere.h index 1be255cad03fc6f38557d594d3e7acb960d0c5ce..110977e8ffaec3fd11aa0dfefe57c2ef4c829971 100755 --- a/src/ASPHERE/fix_npt_asphere.h +++ b/src/ASPHERE/fix_npt_asphere.h @@ -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 diff --git a/src/ASPHERE/fix_nve_asphere.h b/src/ASPHERE/fix_nve_asphere.h index 995a29cd145324a49bf36e5d04aba1e27435d16c..0fc29bbe755a04eeec63f621c5878a259c111a94 100755 --- a/src/ASPHERE/fix_nve_asphere.h +++ b/src/ASPHERE/fix_nve_asphere.h @@ -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 diff --git a/src/ASPHERE/fix_nvt_asphere.h b/src/ASPHERE/fix_nvt_asphere.h index 8c43bed3d0d2163d8f66b4c3c3dc84dc784d641f..5ebe63571496fc436e2f447815da184bdbdf9c63 100755 --- a/src/ASPHERE/fix_nvt_asphere.h +++ b/src/ASPHERE/fix_nvt_asphere.h @@ -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 diff --git a/src/ASPHERE/pair_gayberne.h b/src/ASPHERE/pair_gayberne.h index 45e0ece91e5e67125849e0de0c01c5a6d6050166..03cc0d7e01ae6a807a12907def1fde6d4bbf9bc9 100755 --- a/src/ASPHERE/pair_gayberne.h +++ b/src/ASPHERE/pair_gayberne.h @@ -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 diff --git a/src/ASPHERE/pair_resquared.h b/src/ASPHERE/pair_resquared.h index a6d33977eeb09e8c3ba510045d51e375ce7366f3..dae2dd13e2ab72a151a0a0b10953dbb259abec57 100755 --- a/src/ASPHERE/pair_resquared.h +++ b/src/ASPHERE/pair_resquared.h @@ -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 diff --git a/src/ASPHERE/style_asphere.h b/src/ASPHERE/style_asphere.h deleted file mode 100644 index 70dba98aa47623672b6909faff458e5a59b6f52a..0000000000000000000000000000000000000000 --- a/src/ASPHERE/style_asphere.h +++ /dev/null @@ -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 diff --git a/src/CLASS2/Install.csh b/src/CLASS2/Install.csh index a6559638d62ecbbe657fe2b1ba74e3c1972b8b67..1704852090b7105ef1f033836d3c85ab41e2cb0c 100644 --- a/src/CLASS2/Install.csh +++ b/src/CLASS2/Install.csh @@ -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 diff --git a/src/CLASS2/angle_class2.h b/src/CLASS2/angle_class2.h index f0510166f1106879a9359e6cb56bc07cc4a30274..a2c6e99711c47ad02c1ef039ee95bb1a6005994c 100644 --- a/src/CLASS2/angle_class2.h +++ b/src/CLASS2/angle_class2.h @@ -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 diff --git a/src/CLASS2/bond_class2.h b/src/CLASS2/bond_class2.h index e98f58650fa48e58b15fc7a28ab5518d584d47ae..2a5a42c6482dd383837bc65a4b15605462cdd5ef 100644 --- a/src/CLASS2/bond_class2.h +++ b/src/CLASS2/bond_class2.h @@ -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 diff --git a/src/CLASS2/dihedral_class2.h b/src/CLASS2/dihedral_class2.h index c5cb4aea647dbbe0e039b3100dfde9e127070446..b679851c87c66a6ba0d675b1e126c2dac9d0d5ea 100644 --- a/src/CLASS2/dihedral_class2.h +++ b/src/CLASS2/dihedral_class2.h @@ -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 diff --git a/src/CLASS2/improper_class2.h b/src/CLASS2/improper_class2.h index bc953187862fb2b069d6259cb367f8a20b55d61a..93cbdc8416f4eed6407e52ffd5a33d5af3f7c48d 100644 --- a/src/CLASS2/improper_class2.h +++ b/src/CLASS2/improper_class2.h @@ -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 diff --git a/src/CLASS2/pair_lj_class2.h b/src/CLASS2/pair_lj_class2.h index 33b05a9d92f13bbbc72bd64fa605dd09a4324dcc..f2c5a22841ec08bf999baecd2418db11482fc9fc 100644 --- a/src/CLASS2/pair_lj_class2.h +++ b/src/CLASS2/pair_lj_class2.h @@ -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 diff --git a/src/CLASS2/pair_lj_class2_coul_cut.h b/src/CLASS2/pair_lj_class2_coul_cut.h index cac77257bcbb2674437df5ca6baf2ce387f58e53..0fd36104dc91c424273597832a1f85d577dbd656 100644 --- a/src/CLASS2/pair_lj_class2_coul_cut.h +++ b/src/CLASS2/pair_lj_class2_coul_cut.h @@ -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 diff --git a/src/CLASS2/pair_lj_class2_coul_long.h b/src/CLASS2/pair_lj_class2_coul_long.h index 73742ef3372d5de25c175b15e151fb715857f9d2..3ac90c5ad695bb64a82fe6b6ef8e770c94b40531 100644 --- a/src/CLASS2/pair_lj_class2_coul_long.h +++ b/src/CLASS2/pair_lj_class2_coul_long.h @@ -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 diff --git a/src/CLASS2/style_class2.h b/src/CLASS2/style_class2.h deleted file mode 100644 index 3ba9b32df4fa05caf64ba29c329fbeb06ebf26cc..0000000000000000000000000000000000000000 --- a/src/CLASS2/style_class2.h +++ /dev/null @@ -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/COLLOID/Install.csh b/src/COLLOID/Install.csh index 504510afbe2067ec8e782465463c119965518e43..1e6e5a91f4a4cf7fd06a3451dae2740d1335e477 100644 --- a/src/COLLOID/Install.csh +++ b/src/COLLOID/Install.csh @@ -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 diff --git a/src/COLLOID/atom_vec_colloid.h b/src/COLLOID/atom_vec_colloid.h index dc7b43c32ce2f8838436dd93e45a08ed80726dd4..fa37121ab31d7e3340a54edc469e3ffbac5a2cbe 100644 --- a/src/COLLOID/atom_vec_colloid.h +++ b/src/COLLOID/atom_vec_colloid.h @@ -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 diff --git a/src/COLLOID/fix_wall_colloid.h b/src/COLLOID/fix_wall_colloid.h index 215970aa29b2b44f8747dc3e4034e76613715cb0..1d09975e18fea2deee18b40823f946e38187a9ce 100644 --- a/src/COLLOID/fix_wall_colloid.h +++ b/src/COLLOID/fix_wall_colloid.h @@ -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 diff --git a/src/COLLOID/pair_colloid.h b/src/COLLOID/pair_colloid.h index 976f1e6f9246103b666d4cc07af38feab91bd71b..b6de5406db10d420c966da4d87725af921300e33 100644 --- a/src/COLLOID/pair_colloid.h +++ b/src/COLLOID/pair_colloid.h @@ -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 diff --git a/src/COLLOID/pair_lubricate.h b/src/COLLOID/pair_lubricate.h index dca8f7f1d27eab6805fe6106446219a4e13a4a30..b4e76c2b6a39ff844c5f1f5af8fd8cec2249ae24 100644 --- a/src/COLLOID/pair_lubricate.h +++ b/src/COLLOID/pair_lubricate.h @@ -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 diff --git a/src/COLLOID/pair_yukawa_colloid.h b/src/COLLOID/pair_yukawa_colloid.h index eacae35a99798ad6b297a7147c4735affe7a5ac1..4e70c5233eeca13058cc973365592328918a1a6f 100644 --- a/src/COLLOID/pair_yukawa_colloid.h +++ b/src/COLLOID/pair_yukawa_colloid.h @@ -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 diff --git a/src/COLLOID/style_colloid.h b/src/COLLOID/style_colloid.h deleted file mode 100644 index d5864a0c5f7e135e1f69503ac1e22835b75b044e..0000000000000000000000000000000000000000 --- a/src/COLLOID/style_colloid.h +++ /dev/null @@ -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 diff --git a/src/DIPOLE/Install.csh b/src/DIPOLE/Install.csh index 0055c343d4a4d5838d1e869df52380921990875a..67a35f59b60d51345dbfc943aeca6dc4e922922e 100644 --- a/src/DIPOLE/Install.csh +++ b/src/DIPOLE/Install.csh @@ -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 diff --git a/src/DIPOLE/atom_vec_dipole.h b/src/DIPOLE/atom_vec_dipole.h index 670619f006c6a4a41461e735cf0e32823e5baa87..c63e94a53fde959d477670265f0d5485b2063b69 100644 --- a/src/DIPOLE/atom_vec_dipole.h +++ b/src/DIPOLE/atom_vec_dipole.h @@ -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 diff --git a/src/DIPOLE/pair_dipole_cut.h b/src/DIPOLE/pair_dipole_cut.h index 8b6619735f0113567c80a6596a3457076bc50268..4ac02be1088d7849776824c760992cf1fea7f6dc 100644 --- a/src/DIPOLE/pair_dipole_cut.h +++ b/src/DIPOLE/pair_dipole_cut.h @@ -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 diff --git a/src/DIPOLE/style_dipole.h b/src/DIPOLE/style_dipole.h deleted file mode 100644 index 4708beb13c548516735dfad58422d5e39e1ed56a..0000000000000000000000000000000000000000 --- a/src/DIPOLE/style_dipole.h +++ /dev/null @@ -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 diff --git a/src/DSMC/Install.csh b/src/DSMC/Install.csh index 2b0f0fdc3833f7fd4c2d59c52f6c9f6725f0c4db..2ce2f53f3f7a4f066d9b5d0570b9512110bd0ad4 100644 --- a/src/DSMC/Install.csh +++ b/src/DSMC/Install.csh @@ -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 diff --git a/src/DSMC/pair_dsmc.h b/src/DSMC/pair_dsmc.h index eb3367d4ae88fe39dcb5cd31384c2372704dcc47..7e2b784f73af3af5016909f85bf0c8bfecf10140 100644 --- a/src/DSMC/pair_dsmc.h +++ b/src/DSMC/pair_dsmc.h @@ -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 diff --git a/src/DSMC/style_dsmc.h b/src/DSMC/style_dsmc.h deleted file mode 100644 index 4af022dacd045fcb9f73120ed326d17e900c1dd4..0000000000000000000000000000000000000000 --- a/src/DSMC/style_dsmc.h +++ /dev/null @@ -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 diff --git a/src/GPU/Install.csh b/src/GPU/Install.csh index a8f389413f0f3d294c2f0b65faec43e87803b73e..e8349a8fcd1c2069468a129500a0eb0d2045a771 100644 --- a/src/GPU/Install.csh +++ b/src/GPU/Install.csh @@ -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 diff --git a/src/GPU/pair_gayberne_gpu.h b/src/GPU/pair_gayberne_gpu.h index 558e1afacf03de78fc1e4fa5c29bf1097cc923eb..4ab7932d29a92447bfd29e85588590cc71d1627e 100644 --- a/src/GPU/pair_gayberne_gpu.h +++ b/src/GPU/pair_gayberne_gpu.h @@ -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 diff --git a/src/GPU/pair_lj_cut_gpu.h b/src/GPU/pair_lj_cut_gpu.h index cd38140f56a87e84fe2af47417504b561118251c..53a5a670271934406e3f216db63097e80b030543 100644 --- a/src/GPU/pair_lj_cut_gpu.h +++ b/src/GPU/pair_lj_cut_gpu.h @@ -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 diff --git a/src/GPU/style_gpu.h b/src/GPU/style_gpu.h deleted file mode 100644 index 1be999ccdbf8fd3a7d62b7a443463bee572ec7df..0000000000000000000000000000000000000000 --- a/src/GPU/style_gpu.h +++ /dev/null @@ -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 - diff --git a/src/GRANULAR/Install.csh b/src/GRANULAR/Install.csh index 2b9b9383ee1e5cd7a3661e84d11d29dc0b34e96e..554d07111a3f75ad0aa90fbd2ce4237be8165644 100644 --- a/src/GRANULAR/Install.csh +++ b/src/GRANULAR/Install.csh @@ -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 diff --git a/src/GRANULAR/atom_vec_granular.h b/src/GRANULAR/atom_vec_granular.h index e1af89d68d8128a4fb8cc2dc6ecf6788ce547b07..336e6daef4a07494727a92551bd42719a4ee0cb8 100644 --- a/src/GRANULAR/atom_vec_granular.h +++ b/src/GRANULAR/atom_vec_granular.h @@ -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 diff --git a/src/GRANULAR/fix_freeze.h b/src/GRANULAR/fix_freeze.h index c90fe93d13cd43c48c20db8501edf4a83b69450f..0ed1b72b1b36a29c70510db33486fb28a5e4a8e2 100644 --- a/src/GRANULAR/fix_freeze.h +++ b/src/GRANULAR/fix_freeze.h @@ -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 diff --git a/src/GRANULAR/fix_pour.h b/src/GRANULAR/fix_pour.h index 3286459d8f01ee9e7d2f2a7b5ceb75a0cb66e3ad..c03620bb01fb2f58c8ebe76ff13e7c32aa36dec0 100644 --- a/src/GRANULAR/fix_pour.h +++ b/src/GRANULAR/fix_pour.h @@ -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 diff --git a/src/GRANULAR/fix_wall_gran.h b/src/GRANULAR/fix_wall_gran.h index 76a27ad202adbc9e79ecebb8c1e0b3c0124a5b3e..0f6bb0145f9f3edf0729187a3ead725988338357 100644 --- a/src/GRANULAR/fix_wall_gran.h +++ b/src/GRANULAR/fix_wall_gran.h @@ -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 diff --git a/src/GRANULAR/pair_gran_hertz_history.h b/src/GRANULAR/pair_gran_hertz_history.h index a5799a82f59bf4a66a72a34f5d4f9a7974964d96..87a63fa57f7e5def44f747cc2d9c7ebb4d5503f0 100644 --- a/src/GRANULAR/pair_gran_hertz_history.h +++ b/src/GRANULAR/pair_gran_hertz_history.h @@ -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 diff --git a/src/GRANULAR/pair_gran_hooke.h b/src/GRANULAR/pair_gran_hooke.h index 6a2c08391537accef8e1f629baadf820009f1e97..565a766f6177400c8240fc7e7d249f67b560e4df 100644 --- a/src/GRANULAR/pair_gran_hooke.h +++ b/src/GRANULAR/pair_gran_hooke.h @@ -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 diff --git a/src/GRANULAR/pair_gran_hooke_history.h b/src/GRANULAR/pair_gran_hooke_history.h index e88e168b90203670a3255d8d7aa96b13016f9b80..7252721d129a8cf63a3c44073864737634fc5861 100644 --- a/src/GRANULAR/pair_gran_hooke_history.h +++ b/src/GRANULAR/pair_gran_hooke_history.h @@ -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 diff --git a/src/GRANULAR/style_granular.h b/src/GRANULAR/style_granular.h deleted file mode 100644 index e219d61ef332079d00c68f42a76e3761920c563e..0000000000000000000000000000000000000000 --- a/src/GRANULAR/style_granular.h +++ /dev/null @@ -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 diff --git a/src/KSPACE/Install.csh b/src/KSPACE/Install.csh index 72d9afd96a995a4ca922fa66ee93ce5be23b622a..cc8aa72682a73fb4d5d62bedba7d4b7230cd8780 100644 --- a/src/KSPACE/Install.csh +++ b/src/KSPACE/Install.csh @@ -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 diff --git a/src/KSPACE/ewald.h b/src/KSPACE/ewald.h index 4b8253274ea60224bedbea6484c1952fcd60361c..250b524de046c1cdecfcd1c9eb8a56f7cd3d9221 100644 --- a/src/KSPACE/ewald.h +++ b/src/KSPACE/ewald.h @@ -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 diff --git a/src/KSPACE/fft3d_wrap.h b/src/KSPACE/fft3d_wrap.h index 0b55fe32f6b9e71be561d5fbae08533af6be4a97..510dd44a920d95dcb063e65f75a7e17bfd9b1dc9 100644 --- a/src/KSPACE/fft3d_wrap.h +++ b/src/KSPACE/fft3d_wrap.h @@ -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" diff --git a/src/KSPACE/pair_born_coul_long.h b/src/KSPACE/pair_born_coul_long.h index ea62b59e9eabca6284e61a033ea9200752369569..cd30baa7253c171c1f99b1c0b4464aa7c7209278 100644 --- a/src/KSPACE/pair_born_coul_long.h +++ b/src/KSPACE/pair_born_coul_long.h @@ -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 diff --git a/src/KSPACE/pair_buck_coul_long.h b/src/KSPACE/pair_buck_coul_long.h index f177bc20ce4a49ef4b7dbb1595a31d0252631ca1..78da790cb40d4093c1b1723627e67f7f2fcb293e 100644 --- a/src/KSPACE/pair_buck_coul_long.h +++ b/src/KSPACE/pair_buck_coul_long.h @@ -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 diff --git a/src/KSPACE/pair_coul_long.h b/src/KSPACE/pair_coul_long.h index 66c76fe7c9706963deabae8bd0b2304d50ea121a..a40d477f3af8e179a27cd8565a36516e77d826b1 100644 --- a/src/KSPACE/pair_coul_long.h +++ b/src/KSPACE/pair_coul_long.h @@ -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 diff --git a/src/KSPACE/pair_lj_charmm_coul_long.h b/src/KSPACE/pair_lj_charmm_coul_long.h index 02d7aadc877d9e4726f6c8553a57c27740b92c09..d4e73d5dbc64e323534322f16fcc0fb0c34c4d54 100644 --- a/src/KSPACE/pair_lj_charmm_coul_long.h +++ b/src/KSPACE/pair_lj_charmm_coul_long.h @@ -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 diff --git a/src/KSPACE/pair_lj_cut_coul_long.h b/src/KSPACE/pair_lj_cut_coul_long.h index b241d7d89520af666f5050940c26074b364d1950..a98063c3e88bd817c6161f2cac343ade9d6315db 100644 --- a/src/KSPACE/pair_lj_cut_coul_long.h +++ b/src/KSPACE/pair_lj_cut_coul_long.h @@ -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 diff --git a/src/KSPACE/pair_lj_cut_coul_long_tip4p.h b/src/KSPACE/pair_lj_cut_coul_long_tip4p.h index 6f1170f865acb355a887820a57a561075993c4d7..d67e0f8a8a86b756a8b7ba2290ba1ffaffb426c5 100644 --- a/src/KSPACE/pair_lj_cut_coul_long_tip4p.h +++ b/src/KSPACE/pair_lj_cut_coul_long_tip4p.h @@ -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 diff --git a/src/KSPACE/pppm.h b/src/KSPACE/pppm.h index 8ede1b26838543432b7e31663791159c8d1715f2..5778bda70337857d3aa8ad06782307279a6a026e 100644 --- a/src/KSPACE/pppm.h +++ b/src/KSPACE/pppm.h @@ -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 diff --git a/src/KSPACE/pppm_tip4p.h b/src/KSPACE/pppm_tip4p.h index bda20d437a32f95842438f3598d42e041e828db7..4a56a0270bc21bfb3443d347b84512078eb48459 100644 --- a/src/KSPACE/pppm_tip4p.h +++ b/src/KSPACE/pppm_tip4p.h @@ -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 diff --git a/src/KSPACE/remap_wrap.h b/src/KSPACE/remap_wrap.h index 6b4b9a192a00d5d0df4745f06930268b7d38702e..7145769d4c1aaca81248490fe7a403feecd93532 100644 --- a/src/KSPACE/remap_wrap.h +++ b/src/KSPACE/remap_wrap.h @@ -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" diff --git a/src/KSPACE/style_kspace.h b/src/KSPACE/style_kspace.h deleted file mode 100644 index 1c75a94e75bdd2faea13b934018bde044c326a58..0000000000000000000000000000000000000000 --- a/src/KSPACE/style_kspace.h +++ /dev/null @@ -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 diff --git a/src/MANYBODY/Install.csh b/src/MANYBODY/Install.csh index 9efda4958f2c6b6b39b967935cf8b3de7df0d1f0..866d8af79be04f4993768b6b62b39f95395de03e 100644 --- a/src/MANYBODY/Install.csh +++ b/src/MANYBODY/Install.csh @@ -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 diff --git a/src/MANYBODY/pair_airebo.h b/src/MANYBODY/pair_airebo.h index b0b3a2fc333396d44cd297b3a3ecc94a4dd73514..09c632f6be6cd8ee3a4ee613bbbbcdff20898f20 100644 --- a/src/MANYBODY/pair_airebo.h +++ b/src/MANYBODY/pair_airebo.h @@ -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 diff --git a/src/MANYBODY/pair_eam.h b/src/MANYBODY/pair_eam.h index 1ec14bef8f1457b31ec765ab4f87986ba9576a5a..bde319bb6860be029c82174a9a3f74ce6cf167fc 100644 --- a/src/MANYBODY/pair_eam.h +++ b/src/MANYBODY/pair_eam.h @@ -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 diff --git a/src/MANYBODY/pair_eam_alloy.h b/src/MANYBODY/pair_eam_alloy.h index a95bf77f99a14a206ebfc838c98369dc54554bd3..358aa638c6a2e9f5392df89dbc558d7bd7bf9de5 100644 --- a/src/MANYBODY/pair_eam_alloy.h +++ b/src/MANYBODY/pair_eam_alloy.h @@ -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 diff --git a/src/MANYBODY/pair_eam_fs.h b/src/MANYBODY/pair_eam_fs.h index 8a7808d7f0d39d3eded0438c4784c648762a2269..1daee0efe12f6324128b1b5b18044d6aa0ce4f52 100644 --- a/src/MANYBODY/pair_eam_fs.h +++ b/src/MANYBODY/pair_eam_fs.h @@ -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 diff --git a/src/MANYBODY/pair_sw.h b/src/MANYBODY/pair_sw.h index e84768ba41e394ba4027841dc6e487dc37458183..45053afc4582eca8ae878d71c3f467d84b585f61 100755 --- a/src/MANYBODY/pair_sw.h +++ b/src/MANYBODY/pair_sw.h @@ -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 diff --git a/src/MANYBODY/pair_tersoff.h b/src/MANYBODY/pair_tersoff.h index 7769ddcecc8f843d02bac153d3f0d0f826f37cbd..49d30792864215f79f7e510229b0de57afbf4fc4 100755 --- a/src/MANYBODY/pair_tersoff.h +++ b/src/MANYBODY/pair_tersoff.h @@ -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 diff --git a/src/MANYBODY/pair_tersoff_zbl.h b/src/MANYBODY/pair_tersoff_zbl.h index dd3f1108868faa9baf64f478ac68101b337819e3..6006de1c60c29652e7e3e43e4ef65cc3536c4728 100755 --- a/src/MANYBODY/pair_tersoff_zbl.h +++ b/src/MANYBODY/pair_tersoff_zbl.h @@ -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 diff --git a/src/MANYBODY/style_manybody.h b/src/MANYBODY/style_manybody.h deleted file mode 100644 index 18cd9070089c478c0d7b534a12c4b5c27dc2f45c..0000000000000000000000000000000000000000 --- a/src/MANYBODY/style_manybody.h +++ /dev/null @@ -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 diff --git a/src/MEAM/Install.csh b/src/MEAM/Install.csh index 28f4d29f542e114af4fd81f1f1d26489e3fbab67..a7093dca956e072e4208cac931083d615e2c6d07 100644 --- a/src/MEAM/Install.csh +++ b/src/MEAM/Install.csh @@ -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 diff --git a/src/MEAM/pair_meam.h b/src/MEAM/pair_meam.h index c8a5f4364833afb3282c3ba44c13b120fb96d374..7c993b24c16f71ed7ff162970ac46066faa6f5c0 100644 --- a/src/MEAM/pair_meam.h +++ b/src/MEAM/pair_meam.h @@ -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 diff --git a/src/MEAM/style_meam.h b/src/MEAM/style_meam.h deleted file mode 100644 index 221a363f111f1f80d616cddc14f99186dfe920e7..0000000000000000000000000000000000000000 --- a/src/MEAM/style_meam.h +++ /dev/null @@ -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/MOLECULE/Install.csh b/src/MOLECULE/Install.csh index 9d8e77f87ad763936dee0e7aeddb1d1555b70271..21cd3c59180f9729381ea7c9e78ae3b3ce52d8b2 100644 --- a/src/MOLECULE/Install.csh +++ b/src/MOLECULE/Install.csh @@ -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 diff --git a/src/MOLECULE/angle_charmm.h b/src/MOLECULE/angle_charmm.h index a6c8975ad70b9910473118b819f5a33e35a28300..feb0881861734531b582d76bd51d85b767a05596 100644 --- a/src/MOLECULE/angle_charmm.h +++ b/src/MOLECULE/angle_charmm.h @@ -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 diff --git a/src/MOLECULE/angle_cosine.h b/src/MOLECULE/angle_cosine.h index b0aa922158c8f25149f7e216ae41e0529a05f108..cb6b72bc9fff7d0347070c96704de8caa8d29790 100644 --- a/src/MOLECULE/angle_cosine.h +++ b/src/MOLECULE/angle_cosine.h @@ -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 diff --git a/src/MOLECULE/angle_cosine_delta.h b/src/MOLECULE/angle_cosine_delta.h index 7d34fe3c0590d15b74d1d6fe1f8d2296dcf071d1..4bce025e9e76b7f49ca9e14ef2a714bade51cd1b 100644 --- a/src/MOLECULE/angle_cosine_delta.h +++ b/src/MOLECULE/angle_cosine_delta.h @@ -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 diff --git a/src/MOLECULE/angle_cosine_squared.h b/src/MOLECULE/angle_cosine_squared.h index 79a946ceb2bec75009f17646983d36f346b4f60c..ca138d791e3b23e7f82a7364c577625c6e20caf0 100644 --- a/src/MOLECULE/angle_cosine_squared.h +++ b/src/MOLECULE/angle_cosine_squared.h @@ -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 diff --git a/src/MOLECULE/angle_harmonic.h b/src/MOLECULE/angle_harmonic.h index 4ec024e04218a332f5f73a3a2c4d95098886ac10..7df64a9313cb06f98ffb2c1eef1da5c6640e3de4 100644 --- a/src/MOLECULE/angle_harmonic.h +++ b/src/MOLECULE/angle_harmonic.h @@ -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 diff --git a/src/MOLECULE/angle_hybrid.h b/src/MOLECULE/angle_hybrid.h index 6ff0adada195af4cdfa9f754fc0cf1991e95e55c..4884ef754fdeba097648dbc0d7b1107fa4dfafdb 100644 --- a/src/MOLECULE/angle_hybrid.h +++ b/src/MOLECULE/angle_hybrid.h @@ -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 diff --git a/src/MOLECULE/angle_table.h b/src/MOLECULE/angle_table.h index 2f0490accc9dc90fc347c84d5f2ba0cfceca1e72..a4895196d87087e6b286664c0cc146453682258e 100644 --- a/src/MOLECULE/angle_table.h +++ b/src/MOLECULE/angle_table.h @@ -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 diff --git a/src/MOLECULE/atom_vec_angle.h b/src/MOLECULE/atom_vec_angle.h index d0260b2f95f4a21a539eb787ae3f22535382f18d..482c54ebc0a37852c426b1e76a1d1887ced4d24d 100644 --- a/src/MOLECULE/atom_vec_angle.h +++ b/src/MOLECULE/atom_vec_angle.h @@ -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 diff --git a/src/MOLECULE/atom_vec_bond.h b/src/MOLECULE/atom_vec_bond.h index e79d04abc1c982e4c31c701c0d0aea810b101da1..8c5a8cade7cefff3ebb467aca202444466241c9c 100644 --- a/src/MOLECULE/atom_vec_bond.h +++ b/src/MOLECULE/atom_vec_bond.h @@ -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 diff --git a/src/MOLECULE/atom_vec_full.h b/src/MOLECULE/atom_vec_full.h index c3c2d9e5e3024d4576f0507d66619fba77ae2181..27c724e4bd691ef127b0848bb81610f17c78c333 100644 --- a/src/MOLECULE/atom_vec_full.h +++ b/src/MOLECULE/atom_vec_full.h @@ -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 diff --git a/src/MOLECULE/atom_vec_molecular.h b/src/MOLECULE/atom_vec_molecular.h index 8659b8a0e60bb9ee7253ca8fcad1ebecf024e7cc..7b0ab74e2d52b6e8ef825d68e059cffd6cb0b0a6 100644 --- a/src/MOLECULE/atom_vec_molecular.h +++ b/src/MOLECULE/atom_vec_molecular.h @@ -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 diff --git a/src/MOLECULE/bond_fene.h b/src/MOLECULE/bond_fene.h index d198b24057252642d01aa5232eccccbdcbe8d871..25ca928e3190d4a8aba70f526445a03417d99067 100644 --- a/src/MOLECULE/bond_fene.h +++ b/src/MOLECULE/bond_fene.h @@ -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 diff --git a/src/MOLECULE/bond_fene_expand.h b/src/MOLECULE/bond_fene_expand.h index 6ee9aff619e305f5d4a9c879826c0946e0ff9c79..a86dfdba1420c303c74444df9383edf6c0ad568f 100644 --- a/src/MOLECULE/bond_fene_expand.h +++ b/src/MOLECULE/bond_fene_expand.h @@ -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 diff --git a/src/MOLECULE/bond_harmonic.h b/src/MOLECULE/bond_harmonic.h index 14bd8c7794ec6c46a36f11f1878b0d1493e1c82f..a4364cc8bb397ef57ff274682b7ced3a7fd17df1 100644 --- a/src/MOLECULE/bond_harmonic.h +++ b/src/MOLECULE/bond_harmonic.h @@ -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 diff --git a/src/MOLECULE/bond_morse.h b/src/MOLECULE/bond_morse.h index bcccceb146409650ba21cc33f726f1df27e5ed3f..34fbf265cc1919f03ddb06216c412bf654e012ac 100644 --- a/src/MOLECULE/bond_morse.h +++ b/src/MOLECULE/bond_morse.h @@ -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 diff --git a/src/MOLECULE/bond_nonlinear.h b/src/MOLECULE/bond_nonlinear.h index 24686191b29fd3fec252df9977e525740f0d5a9d..1390d2519385a5433f15256c4ba98b9bf7b2550a 100644 --- a/src/MOLECULE/bond_nonlinear.h +++ b/src/MOLECULE/bond_nonlinear.h @@ -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 diff --git a/src/MOLECULE/bond_quartic.h b/src/MOLECULE/bond_quartic.h index e25ab1eb09b0834da2433836494492b1bcf8a116..b53d71039210e81285530c6bff37a8b004f42ac0 100644 --- a/src/MOLECULE/bond_quartic.h +++ b/src/MOLECULE/bond_quartic.h @@ -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 diff --git a/src/MOLECULE/bond_table.h b/src/MOLECULE/bond_table.h index 0d8f3b4066ada34e999af074bffc977a0eaec7cf..9e5d877ecc0da4649a2efc65e1c0da7856020b19 100644 --- a/src/MOLECULE/bond_table.h +++ b/src/MOLECULE/bond_table.h @@ -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 diff --git a/src/MOLECULE/dihedral_charmm.h b/src/MOLECULE/dihedral_charmm.h index 470981e31dd15e0985bbe7d0ef2d60f8f5f117ef..1833cda6a9e6ffeb400773a8a18a9814f2705d1c 100644 --- a/src/MOLECULE/dihedral_charmm.h +++ b/src/MOLECULE/dihedral_charmm.h @@ -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 diff --git a/src/MOLECULE/dihedral_harmonic.h b/src/MOLECULE/dihedral_harmonic.h index 22ca49de9a1eef0c27b806c1e50f9a55b1fbd88f..64a1e96e24b96149d7780b1d0bb6956238ec4658 100644 --- a/src/MOLECULE/dihedral_harmonic.h +++ b/src/MOLECULE/dihedral_harmonic.h @@ -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 diff --git a/src/MOLECULE/dihedral_helix.h b/src/MOLECULE/dihedral_helix.h index 9263773b6465c1dbfd60615b0e010c1924948a36..df51d2b2dc5509e6e174a0c7728613832941a414 100644 --- a/src/MOLECULE/dihedral_helix.h +++ b/src/MOLECULE/dihedral_helix.h @@ -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 diff --git a/src/MOLECULE/dihedral_hybrid.h b/src/MOLECULE/dihedral_hybrid.h index 0ed2a91c8a9465c518a6cd5ea391f1e8de7a14dd..129c4dceaba17b7ec114a71afc5a76327e5b7d09 100644 --- a/src/MOLECULE/dihedral_hybrid.h +++ b/src/MOLECULE/dihedral_hybrid.h @@ -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 diff --git a/src/MOLECULE/dihedral_multi_harmonic.h b/src/MOLECULE/dihedral_multi_harmonic.h index 1fce65f4a3acc37d6ee9d9880765854a57b6dc45..67bd4a33e7fc99c52c7d56dc9887251b7f600b59 100644 --- a/src/MOLECULE/dihedral_multi_harmonic.h +++ b/src/MOLECULE/dihedral_multi_harmonic.h @@ -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 diff --git a/src/MOLECULE/dihedral_opls.h b/src/MOLECULE/dihedral_opls.h index 2d71c2efc339a77749fff51e53165c402a95005d..d4ec3f8b7df7bdd5d68330e417b5827c922c395f 100644 --- a/src/MOLECULE/dihedral_opls.h +++ b/src/MOLECULE/dihedral_opls.h @@ -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 diff --git a/src/MOLECULE/fix_bond_break.h b/src/MOLECULE/fix_bond_break.h index b70d694a22c2e086efa5e1017a56637c5a086ec1..597a7e93f35031be957fce4cbd70ad1b32e94426 100755 --- a/src/MOLECULE/fix_bond_break.h +++ b/src/MOLECULE/fix_bond_break.h @@ -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 diff --git a/src/MOLECULE/fix_bond_create.h b/src/MOLECULE/fix_bond_create.h index d4ae9d85244e79c0a02eb5036c362aa4d57c4398..a54fd5d82ad7149bf36bf6aea8d80015b4ad3688 100755 --- a/src/MOLECULE/fix_bond_create.h +++ b/src/MOLECULE/fix_bond_create.h @@ -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 diff --git a/src/MOLECULE/fix_bond_swap.h b/src/MOLECULE/fix_bond_swap.h index 1e089aae8321a61559a66010a9cd40b0c44b4779..b8f991364ad8f14c4c5babb70adb8e728173bf2c 100644 --- a/src/MOLECULE/fix_bond_swap.h +++ b/src/MOLECULE/fix_bond_swap.h @@ -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 diff --git a/src/MOLECULE/improper_cvff.h b/src/MOLECULE/improper_cvff.h index 51fcc4b2e3e9d6aeff32680fbbb5bebe195e1d1e..b7636edb2035338fcec45fe68103a8d315d4c739 100644 --- a/src/MOLECULE/improper_cvff.h +++ b/src/MOLECULE/improper_cvff.h @@ -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 diff --git a/src/MOLECULE/improper_harmonic.h b/src/MOLECULE/improper_harmonic.h index fdc049534492618d85c6dac0d6b240220139ba74..01645cf2a97fd4004572c86384a5621963322324 100644 --- a/src/MOLECULE/improper_harmonic.h +++ b/src/MOLECULE/improper_harmonic.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef IMPROPER_HARMONIC_H -#define IMPROPER_HARMONIC_H +#ifdef IMPROPER_CLASS + +ImproperStyle(harmonic,ImproperHarmonic) + +#else + +#ifndef LMP_IMPROPER_HARMONIC_H +#define LMP_IMPROPER_HARMONIC_H #include "stdio.h" #include "improper.h" @@ -37,3 +43,4 @@ class ImproperHarmonic : public Improper { } #endif +#endif diff --git a/src/MOLECULE/improper_hybrid.h b/src/MOLECULE/improper_hybrid.h index 70e2c13cb4c39cb5f7119cbc2464a82b1fd29b2f..3e0639f750da27dc13bfe7e81f0e250acf907b46 100644 --- a/src/MOLECULE/improper_hybrid.h +++ b/src/MOLECULE/improper_hybrid.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef IMPROPER_HYBRID_H -#define IMPROPER_HYBRID_H +#ifdef IMPROPER_CLASS + +ImproperStyle(hybrid,ImproperHybrid) + +#else + +#ifndef LMP_IMPROPER_HYBRID_H +#define LMP_IMPROPER_HYBRID_H #include "stdio.h" #include "improper.h" @@ -46,3 +52,4 @@ class ImproperHybrid : public Improper { } #endif +#endif diff --git a/src/MOLECULE/pair_lj_charmm_coul_charmm.h b/src/MOLECULE/pair_lj_charmm_coul_charmm.h index e23766b414848f8dec9f5898913116c934daae59..d83694d45c3fce2e79dc301cb8021a6c9421401d 100644 --- a/src/MOLECULE/pair_lj_charmm_coul_charmm.h +++ b/src/MOLECULE/pair_lj_charmm_coul_charmm.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_CHARMM_COUL_CHARMM_H -#define PAIR_LJ_CHARMM_COUL_CHARMM_H +#ifdef PAIR_CLASS + +PairStyle(lj/charmm/coul/charmm,PairLJCharmmCoulCharmm) + +#else + +#ifndef LMP_PAIR_LJ_CHARMM_COUL_CHARMM_H +#define LMP_PAIR_LJ_CHARMM_COUL_CHARMM_H #include "pair.h" @@ -49,3 +55,4 @@ class PairLJCharmmCoulCharmm : public Pair { } #endif +#endif diff --git a/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.h b/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.h index 910e0c9a19ca10496fd64aec1d217c7343df22c2..2fd9b610991aca61b8505d3aba0241bdbf4345ba 100644 --- a/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.h +++ b/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_CHARMM_COUL_CHARMM_IMPLICIT_H -#define PAIR_LJ_CHARMM_COUL_CHARMM_IMPLICIT_H +#ifdef PAIR_CLASS + +PairStyle(lj/charmm/coul/charmm/implicit,PairLJCharmmCoulCharmmImplicit) + +#else + +#ifndef LMP_PAIR_LJ_CHARMM_COUL_CHARMM_IMPLICIT_H +#define LMP_PAIR_LJ_CHARMM_COUL_CHARMM_IMPLICIT_H #include "pair_lj_charmm_coul_charmm.h" @@ -29,3 +35,4 @@ class PairLJCharmmCoulCharmmImplicit : public PairLJCharmmCoulCharmm { } #endif +#endif diff --git a/src/MOLECULE/style_molecule.h b/src/MOLECULE/style_molecule.h deleted file mode 100644 index cc4e57483b6f117c9ff8a13b039787c5514c15de..0000000000000000000000000000000000000000 --- a/src/MOLECULE/style_molecule.h +++ /dev/null @@ -1,120 +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_charmm.h" -#include "angle_cosine.h" -#include "angle_cosine_delta.h" -#include "angle_cosine_squared.h" -#include "angle_harmonic.h" -#include "angle_hybrid.h" -#include "angle_table.h" -#endif - -#ifdef AngleClass -AngleStyle(charmm,AngleCharmm) -AngleStyle(cosine,AngleCosine) -AngleStyle(cosine/delta,AngleCosineDelta) -AngleStyle(cosine/squared,AngleCosineSquared) -AngleStyle(harmonic,AngleHarmonic) -AngleStyle(hybrid,AngleHybrid) -AngleStyle(table,AngleTable) -#endif - -#ifdef AtomInclude -#include "atom_vec_angle.h" -#include "atom_vec_bond.h" -#include "atom_vec_full.h" -#include "atom_vec_molecular.h" -#endif - -#ifdef AtomClass -AtomStyle(angle,AtomVecAngle) -AtomStyle(bond,AtomVecBond) -AtomStyle(full,AtomVecFull) -AtomStyle(molecular,AtomVecMolecular) -#endif - -#ifdef BondInclude -#include "bond_fene.h" -#include "bond_fene_expand.h" -#include "bond_harmonic.h" -#include "bond_hybrid.h" -#include "bond_morse.h" -#include "bond_nonlinear.h" -#include "bond_quartic.h" -#include "bond_table.h" -#endif - -#ifdef BondClass -BondStyle(fene,BondFENE) -BondStyle(fene/expand,BondFENEExpand) -BondStyle(harmonic,BondHarmonic) -BondStyle(hybrid,BondHybrid) -BondStyle(morse,BondMorse) -BondStyle(nonlinear,BondNonlinear) -BondStyle(quartic,BondQuartic) -BondStyle(table,BondTable) -#endif - -#ifdef DihedralInclude -#include "dihedral_charmm.h" -#include "dihedral_harmonic.h" -#include "dihedral_helix.h" -#include "dihedral_hybrid.h" -#include "dihedral_multi_harmonic.h" -#include "dihedral_opls.h" -#endif - -#ifdef DihedralClass -DihedralStyle(charmm,DihedralCharmm) -DihedralStyle(harmonic,DihedralHarmonic) -DihedralStyle(helix,DihedralHelix) -DihedralStyle(hybrid,DihedralHybrid) -DihedralStyle(multi/harmonic,DihedralMultiHarmonic) -DihedralStyle(opls,DihedralOPLS) -#endif - -#ifdef FixInclude -#include "fix_bond_break.h" -#include "fix_bond_create.h" -#include "fix_bond_swap.h" -#endif - -#ifdef FixClass -FixStyle(bond/break,FixBondBreak) -FixStyle(bond/create,FixBondCreate) -FixStyle(bond/swap,FixBondSwap) -#endif - -#ifdef ImproperInclude -#include "improper_cvff.h" -#include "improper_harmonic.h" -#include "improper_hybrid.h" -#endif - -#ifdef ImproperClass -ImproperStyle(cvff,ImproperCvff) -ImproperStyle(harmonic,ImproperHarmonic) -ImproperStyle(hybrid,ImproperHybrid) -#endif - -#ifdef PairInclude -#include "pair_lj_charmm_coul_charmm.h" -#include "pair_lj_charmm_coul_charmm_implicit.h" -#endif - -#ifdef PairClass -PairStyle(lj/charmm/coul/charmm,PairLJCharmmCoulCharmm) -PairStyle(lj/charmm/coul/charmm/implicit,PairLJCharmmCoulCharmmImplicit) -#endif diff --git a/src/Make.csh b/src/Make.csh index 59657281e501d34d11bfb7b37f1895ebf26cb623..9a9806da25223f0719f71f08957a726834a07349 100644 --- a/src/Make.csh +++ b/src/Make.csh @@ -1,4 +1,4 @@ -# Make.csh = update Makefile.lib and Makefile.list +# Make.csh = update Makefile.lib or Makefile.list or style_*.h files # use current list of *.cpp and *.h files in src dir if ($1 == "Makefile.lib") then @@ -49,4 +49,300 @@ else if ($1 == "Makefile.list") then sed -i -e "s/INC = \(.*\)/INC = \1 $list4/" Makefile.list sed -i -e "s/INC = \(.*\)/INC = \1 $list5/" Makefile.list +else if ($1 == "style") then + + set list = `grep -l ANGLE_CLASS angle_*.h` + if (-e style_angle.tmp) then + rm style_angle.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_angle.tmp + end + if (! -e style_angle.tmp) then + rm style_angle.h + touch style_angle.h + else if (! -e style_angle.h) then + mv style_angle.tmp style_angle.h + rm Obj_*/force.d + else if (`diff style_angle.h style_angle.tmp` != "") then + mv style_angle.tmp style_angle.h + rm Obj_*/force.d + else + rm style_angle.tmp + endif + + set list = `grep -l ATOM_CLASS atom_vec_*.h` + if (-e style_atom.tmp) then + rm style_atom.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_atom.tmp + end + if (! -e style_atom.tmp) then + rm style_atom.h + touch style_atom.h + else if (! -e style_atom.h) then + mv style_atom.tmp style_atom.h + rm Obj_*/atom.d + else if (`diff style_atom.h style_atom.tmp` != "") then + mv style_atom.tmp style_atom.h + rm Obj_*/atom.d + else + rm style_atom.tmp + endif + + set list = `grep -l BOND_CLASS bond_*.h` + if (-e style_bond.tmp) then + rm style_bond.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_bond.tmp + end + if (! -e style_bond.tmp) then + rm style_bond.h + touch style_bond.h + else if (! -e style_bond.h) then + mv style_bond.tmp style_bond.h + rm Obj_*/force.d + else if (`diff style_bond.h style_bond.tmp` != "") then + mv style_bond.tmp style_bond.h + rm Obj_*/force.d + else + rm style_bond.tmp + endif + + set list = `grep -l COMMAND_CLASS *.h` + if (-e style_command.tmp) then + rm style_command.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_command.tmp + end + if (! -e style_command.tmp) then + rm style_command.h + touch style_command.h + else if (! -e style_command.h) then + mv style_command.tmp style_command.h + rm Obj_*/input.d + else if (`diff style_command.h style_command.tmp` != "") then + mv style_command.tmp style_command.h + rm Obj_*/input.d + else + rm style_command.tmp + endif + + set list = `grep -l COMPUTE_CLASS compute_*.h` + if (-e style_compute.tmp) then + rm style_compute.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_compute.tmp + end + if (! -e style_compute.tmp) then + rm style_compute.h + touch style_compute.h + else if (! -e style_compute.h) then + mv style_compute.tmp style_compute.h + rm Obj_*/modify.d + else if (`diff style_compute.h style_compute.tmp` != "") then + mv style_compute.tmp style_compute.h + rm Obj_*/modify.d + else + rm style_compute.tmp + endif + + set list = `grep -l DIHEDRAL_CLASS dihedral_*.h` + if (-e style_dihedral.tmp) then + rm style_dihedral.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_dihedral.tmp + end + if (! -e style_dihedral.tmp) then + rm style_dihedral.h + touch style_dihedral.h + else if (! -e style_dihedral.h) then + mv style_dihedral.tmp style_dihedral.h + rm Obj_*/force.d + else if (`diff style_dihedral.h style_dihedral.tmp` != "") then + mv style_dihedral.tmp style_dihedral.h + rm Obj_*/force.d + else + rm style_dihedral.tmp + endif + + set list = `grep -l DUMP_CLASS dump_*.h` + if (-e style_dump.tmp) then + rm style_dump.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_dump.tmp + end + if (! -e style_dump.tmp) then + rm style_dump.h + touch style_dump.h + else if (! -e style_dump.h) then + mv style_dump.tmp style_dump.h + rm Obj_*/output.d + else if (`diff style_dump.h style_dump.tmp` != "") then + mv style_dump.tmp style_dump.h + rm Obj_*/output.d + else + rm style_dump.tmp + endif + + set list = `grep -l FIX_CLASS fix_*.h` + if (-e style_fix.tmp) then + rm style_fix.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_fix.tmp + end + if (! -e style_fix.tmp) then + rm style_fix.h + touch style_fix.h + else if (! -e style_fix.h) then + mv style_fix.tmp style_fix.h + rm Obj_*/modify.d + else if (`diff style_fix.h style_fix.tmp` != "") then + mv style_fix.tmp style_fix.h + rm Obj_*/modify.d + else + rm style_fix.tmp + endif + + set list = `grep -l IMPROPER_CLASS improper_*.h` + if (-e style_improper.tmp) then + rm style_improper.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_improper.tmp + end + if (! -e style_improper.tmp) then + rm style_improper.h + touch style_improper.h + else if (! -e style_improper.h) then + mv style_improper.tmp style_improper.h + rm Obj_*/force.d + else if (`diff style_improper.h style_improper.tmp` != "") then + mv style_improper.tmp style_improper.h + rm Obj_*/force.d + else + rm style_improper.tmp + endif + + set list = `grep -l INTEGRATE_CLASS *.h` + if (-e style_integrate.tmp) then + rm style_integrate.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_integrate.tmp + end + if (! -e style_integrate.tmp) then + rm style_integrate.h + touch style_integrate.h + else if (! -e style_integrate.h) then + mv style_integrate.tmp style_integrate.h + rm Obj_*/update.d + else if (`diff style_integrate.h style_integrate.tmp` != "") then + mv style_integrate.tmp style_integrate.h + rm Obj_*/update.d + else + rm style_integrate.tmp + endif + + set list = `grep -l KSPACE_CLASS *.h` + if (-e style_kspace.tmp) then + rm style_kspace.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_kspace.tmp + end + if (! -e style_kspace.tmp) then + rm style_kspace.h + touch style_kspace.h + else if (! -e style_kspace.h) then + mv style_kspace.tmp style_kspace.h + rm Obj_*/force.d + else if (`diff style_kspace.h style_kspace.tmp` != "") then + mv style_kspace.tmp style_kspace.h + rm Obj_*/force.d + else + rm style_kspace.tmp + endif + + set list = `grep -l MINIMIZE_CLASS min_*.h` + if (-e style_minimize.tmp) then + rm style_minimize.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_minimize.tmp + end + if (! -e style_minimize.tmp) then + rm style_minimize.h + touch style_minimize.h + else if (! -e style_minimize.h) then + mv style_minimize.tmp style_minimize.h + rm Obj_*/update.d + else if (`diff style_minimize.h style_minimize.tmp` != "") then + mv style_minimize.tmp style_minimize.h + rm Obj_*/update.d + else + rm style_minimize.tmp + endif + + set list = `grep -l PAIR_CLASS pair_*.h` + if (-e style_pair.tmp) then + rm style_pair.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_pair.tmp + end + if (! -e style_pair.tmp) then + rm style_pair.h + touch style_pair.h + else if (! -e style_pair.h) then + mv style_pair.tmp style_pair.h + rm Obj_*/force.d + else if (`diff style_pair.h style_pair.tmp` != "") then + mv style_pair.tmp style_pair.h + rm Obj_*/force.d + else + rm style_pair.tmp + endif + + set list = `grep -l REGION_CLASS region_*.h` + if (-e style_region.tmp) then + rm style_region.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_region.tmp + end + if (! -e style_region.tmp) then + rm style_region.h + touch style_region.h + else if (! -e style_region.h) then + mv style_region.tmp style_region.h + rm Obj_*/domain.d + else if (`diff style_region.h style_region.tmp` != "") then + mv style_region.tmp style_region.h + rm Obj_*/domain.d + else + rm style_region.tmp + endif + endif diff --git a/src/Makefile b/src/Makefile index 68245135cd086aeabcfc0c77b00f4fee3995bbb2..96e01d7565f1ef18937270e607c49d833d056e87 100755 --- a/src/Makefile +++ b/src/Makefile @@ -62,7 +62,8 @@ help: .DEFAULT: @test -f MAKE/Makefile.$@ @if [ ! -d Obj_$@ ]; then mkdir Obj_$@; fi - @cp -p $(SRC) $(INC) Obj_$@ + @csh Make.csh style + @cp -p *.cpp *.h Obj_$@ @cp MAKE/Makefile.$@ Obj_$@/Makefile @cp Makefile.package Obj_$@ @cd Obj_$@; \ diff --git a/src/Makefile.package b/src/Makefile.package index 0c8aa9d85091c978c61527def76ef62db263550e..e8b9bb6bd2389246957d8472595147413248b81a 100644 --- a/src/Makefile.package +++ b/src/Makefile.package @@ -1,9 +1,9 @@ # Settings for libraries used by specific LAMMPS packages # this file is auto-edited when those packages are included/excluded -PKG_INC = -I../../lib/reax -I../../lib/poems -I../../lib/meam -PKG_PATH = -L../../lib/reax -L../../lib/poems -L../../lib/meam -PKG_LIB = -lreax -lpoems -lmeam +PKG_INC = -I../../lib/atc -I../../lib/reax -I../../lib/poems -I../../lib/meam +PKG_PATH = -L../../lib/atc -L../../lib/reax -L../../lib/poems -L../../lib/meam -L../../lib/gpu +PKG_LIB = -latc -lreax -lpoems -lmeam -lgpu -PKG_SYSPATH = $(reax_SYSPATH) $(meam_SYSPATH) -PKG_SYSLIB = $(reax_SYSLIB) $(meam_SYSLIB) +PKG_SYSPATH = $(user-atc_SYSPATH) $(reax_SYSPATH) $(meam_SYSPATH) $(gpu_SYSPATH) +PKG_SYSLIB = $(user-atc_SYSLIB) $(reax_SYSLIB) $(meam_SYSLIB) $(gpu_SYSLIB) diff --git a/src/OPT/Install.csh b/src/OPT/Install.csh index 2e0d6f6dd09f29f286c6be03cf1e1ba57d127027..4cd27247050df1bf872318cf7201ecc7b9213299 100644 --- a/src/OPT/Install.csh +++ b/src/OPT/Install.csh @@ -12,17 +12,6 @@ if ($1 == 1) then cp pair_eam_fs_opt.h .. endif - cp style_opt.h tmp.h - if (! -e ../pair_eam.cpp) then - grep -v eam tmp.h > tmp1.h - mv tmp1.h tmp.h - endif - if (! -e ../pair_lj_charmm_coul_long.cpp) then - grep -v charmm tmp.h > tmp1.h - mv tmp1.h tmp.h - endif - mv tmp.h ../style_opt.h - if (-e ../pair_lj_charmm_coul_long.cpp) then cp pair_lj_charmm_coul_long_opt.cpp .. cp pair_lj_charmm_coul_long_opt.h .. @@ -36,9 +25,6 @@ if ($1 == 1) then else if ($1 == 0) then - rm ../style_opt.h - touch ../style_opt.h - rm ../pair_eam_opt.cpp rm ../pair_eam_alloy_opt.cpp rm ../pair_eam_fs_opt.cpp diff --git a/src/OPT/pair_eam_alloy_opt.h b/src/OPT/pair_eam_alloy_opt.h index 961f987eabef5381c8dd4a595df3c690b5f01d7d..507fa44376aa66360c93d7c98c5da92acc182d82 100644 --- a/src/OPT/pair_eam_alloy_opt.h +++ b/src/OPT/pair_eam_alloy_opt.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_EAM_ALLOY_OPT_H -#define PAIR_EAM_ALLOY_OPT_H +#ifdef PAIR_CLASS + +PairStyle(eam/alloy/opt,PairEAMAlloyOpt) + +#else + +#ifndef LMP_PAIR_EAM_ALLOY_OPT_H +#define LMP_PAIR_EAM_ALLOY_OPT_H #include "pair_eam_alloy.h" #include "pair_eam_opt.h" @@ -31,3 +37,4 @@ class PairEAMAlloyOpt : public PairEAMAlloy, public PairEAMOpt { } #endif +#endif diff --git a/src/OPT/pair_eam_fs_opt.h b/src/OPT/pair_eam_fs_opt.h index 8f04159190b965ac007de8d7ed545a54e88a5767..519630880a1554ab37bda962c1acbfee0699317d 100644 --- a/src/OPT/pair_eam_fs_opt.h +++ b/src/OPT/pair_eam_fs_opt.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_EAM_FS_OPT_H -#define PAIR_EAM_FS_OPT_H +#ifdef PAIR_CLASS + +PairStyle(eam/fs/opt,PairEAMFSOpt) + +#else + +#ifndef LMP_PAIR_EAM_FS_OPT_H +#define LMP_PAIR_EAM_FS_OPT_H #include "pair_eam_fs.h" #include "pair_eam_opt.h" @@ -32,3 +38,4 @@ class PairEAMFSOpt : public PairEAMFS, public PairEAMOpt { #endif +#endif diff --git a/src/OPT/pair_eam_opt.h b/src/OPT/pair_eam_opt.h index 875cd5c885d85156583fb0de5cfa332edbe92435..a064ba88fe2cf76500d5f0b786db9611cb499442 100644 --- a/src/OPT/pair_eam_opt.h +++ b/src/OPT/pair_eam_opt.h @@ -19,8 +19,14 @@ Vincent Natol, Stone Ridge Technology ------------------------------------------------------------------------- */ -#ifndef PAIR_EAM_OPT_H -#define PAIR_EAM_OPT_H +#ifdef PAIR_CLASS + +PairStyle(eam/opt,PairEAMOpt) + +#else + +#ifndef LMP_PAIR_EAM_OPT_H +#define LMP_PAIR_EAM_OPT_H #include "math.h" #include "stdlib.h" @@ -322,3 +328,4 @@ void PairEAMOpt::eval() } #endif +#endif diff --git a/src/OPT/pair_lj_charmm_coul_long_opt.h b/src/OPT/pair_lj_charmm_coul_long_opt.h index b8bdb2bfe1ed109173213ea96c6de2c85d389fee..bc1171e5ae21dc0876941f9037469fdd83ce82b3 100644 --- a/src/OPT/pair_lj_charmm_coul_long_opt.h +++ b/src/OPT/pair_lj_charmm_coul_long_opt.h @@ -18,8 +18,14 @@ Vincent Natol, Stone Ridge Technology ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_CHARMM_COUL_LONG_OPT_H -#define PAIR_LJ_CHARMM_COUL_LONG_OPT_H +#ifdef PAIR_CLASS + +PairStyle(lj/charmm/coul/long/opt,PairLJCharmmCoulLongOpt) + +#else + +#ifndef LMP_PAIR_LJ_CHARMM_COUL_LONG_OPT_H +#define LMP_PAIR_LJ_CHARMM_COUL_LONG_OPT_H #include "math.h" #include "stdlib.h" @@ -338,3 +344,4 @@ void PairLJCharmmCoulLongOpt::eval() } #endif +#endif diff --git a/src/OPT/pair_lj_cut_opt.h b/src/OPT/pair_lj_cut_opt.h index 6a9e9c514c1db74373b4c987b16b78aa99d48c5a..c5122f6d7223b5c4ce3b1b57cfc91bd9feb9b669 100644 --- a/src/OPT/pair_lj_cut_opt.h +++ b/src/OPT/pair_lj_cut_opt.h @@ -18,8 +18,14 @@ Vincent Natol, Stone Ridge Technology ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_CUT_OPT_H -#define PAIR_LJ_CUT_OPT_H +#ifdef PAIR_CLASS + +PairStyle(lj/cut/opt,PairLJCutOpt) + +#else + +#ifndef LMP_PAIR_LJ_CUT_OPT_H +#define LMP_PAIR_LJ_CUT_OPT_H #include "stdlib.h" #include "pair_lj_cut.h" @@ -188,3 +194,4 @@ void PairLJCutOpt::eval() } #endif +#endif diff --git a/src/OPT/pair_morse_opt.h b/src/OPT/pair_morse_opt.h index dc5b2b9fc4811499f7f925864532e004c4188d0d..a8bfa1ec49a54cb173531b08e0aface7b09ba30f 100644 --- a/src/OPT/pair_morse_opt.h +++ b/src/OPT/pair_morse_opt.h @@ -18,8 +18,14 @@ Vincent Natol, Stone Ridge Technology ------------------------------------------------------------------------- */ -#ifndef PAIR_MORSE_OPT_H -#define PAIR_MORSE_OPT_H +#ifdef PAIR_CLASS + +PairStyle(morse/opt,PairMorseOpt) + +#else + +#ifndef LMP_PAIR_MORSE_OPT_H +#define LMP_PAIR_MORSE_OPT_H #include "math.h" #include "stdlib.h" @@ -185,3 +191,4 @@ void PairMorseOpt::eval() } #endif +#endif diff --git a/src/OPT/style_opt.h b/src/OPT/style_opt.h deleted file mode 100644 index 061816e1366b1f813e6180a1b65ecfe1e3811ebb..0000000000000000000000000000000000000000 --- a/src/OPT/style_opt.h +++ /dev/null @@ -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/PERI/Install.csh b/src/PERI/Install.csh index 4321be0177b63d2692237f21125134002a3cd28b..d4cbf432db91642de3116f8824d05b9874874798 100644 --- a/src/PERI/Install.csh +++ b/src/PERI/Install.csh @@ -2,8 +2,6 @@ if ($1 == 1) then - cp style_peri.h .. - cp atom_vec_peri.cpp .. cp pair_peri_pmb.cpp .. cp fix_peri_neigh.cpp .. @@ -16,9 +14,6 @@ if ($1 == 1) then else if ($1 == 0) then - rm -f ../style_peri.h - touch ../style_peri.h - rm -f ../atom_vec_peri.cpp rm -f ../pair_peri_pmb.cpp rm -f ../fix_peri_neigh.cpp diff --git a/src/PERI/atom_vec_peri.h b/src/PERI/atom_vec_peri.h index 964af8fb9b4a9041eab51ce9de2885fb0362f607..db187dda32c877e85a1f4764e9e4a481cfabc5d8 100755 --- a/src/PERI/atom_vec_peri.h +++ b/src/PERI/atom_vec_peri.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ATOM_VEC_PERI_H -#define ATOM_VEC_PERI_H +#ifdef ATOM_CLASS + +AtomStyle(peri,AtomVecPeri) + +#else + +#ifndef LMP_ATOM_VEC_PERI_H +#define LMP_ATOM_VEC_PERI_H #include "atom_vec.h" @@ -57,3 +63,4 @@ class AtomVecPeri : public AtomVec { } #endif +#endif diff --git a/src/PERI/compute_damage_atom.h b/src/PERI/compute_damage_atom.h index 47346549e4c3780bec58bb1ba7a87d8f8be8c46b..3252928947178137a5492b57972c7d608076fbea 100644 --- a/src/PERI/compute_damage_atom.h +++ b/src/PERI/compute_damage_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_DAMAGE_ATOM_H -#define COMPUTE_DAMAGE_ATOM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(damage/atom,ComputeDamageAtom) + +#else + +#ifndef LMP_COMPUTE_DAMAGE_ATOM_H +#define LMP_COMPUTE_DAMAGE_ATOM_H #include "compute.h" @@ -35,3 +41,4 @@ class ComputeDamageAtom : public Compute { } #endif +#endif diff --git a/src/PERI/fix_peri_neigh.h b/src/PERI/fix_peri_neigh.h index 933153b8c4164264d79d8a8b2ffdf69018fec0d4..34626136b2b6ffdd0df4e09308f1825fef49d2b6 100644 --- a/src/PERI/fix_peri_neigh.h +++ b/src/PERI/fix_peri_neigh.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_PERI_NEIGH_H -#define FIX_PERI_NEIGH_H +#ifdef FIX_CLASS + +FixStyle(PERI_NEIGH,FixPeriNeigh) + +#else + +#ifndef LMP_FIX_PERI_NEIGH_H +#define LMP_FIX_PERI_NEIGH_H #include "fix.h" @@ -54,3 +60,4 @@ class FixPeriNeigh : public Fix { } #endif +#endif diff --git a/src/PERI/pair_peri_pmb.h b/src/PERI/pair_peri_pmb.h index 40cbad266731b990298b0b533706d3bfff4c14ea..98030c85d965574f4a7fb5db7e85e82586563a89 100644 --- a/src/PERI/pair_peri_pmb.h +++ b/src/PERI/pair_peri_pmb.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_PERI_PMB_H -#define PAIR_PERI_PMB_H +#ifdef PAIR_CLASS + +PairStyle(peri/pmb,PairPeriPMB) + +#else + +#ifndef LMP_PAIR_PERI_PMB_H +#define LMP_PAIR_PERI_PMB_H #include "pair.h" @@ -49,3 +55,4 @@ class PairPeriPMB : public Pair { } #endif +#endif diff --git a/src/PERI/style_peri.h b/src/PERI/style_peri.h deleted file mode 100644 index 1d840255a03fd0583baebf45e4d164ee15158d62..0000000000000000000000000000000000000000 --- a/src/PERI/style_peri.h +++ /dev/null @@ -1,45 +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_peri.h" -#endif - -#ifdef AtomClass -AtomStyle(peri,AtomVecPeri) -# endif - -#ifdef FixInclude -#include "fix_peri_neigh.h" -#endif - -#ifdef FixClass -FixStyle(PERI_NEIGH,FixPeriNeigh) -#endif - -#ifdef PairInclude -#include "pair_peri_pmb.h" -#endif - -#ifdef PairClass -PairStyle(peri/pmb,PairPeriPMB) -#endif - -#ifdef ComputeInclude -#include "compute_damage_atom.h" -#endif - -#ifdef ComputeClass -ComputeStyle(damage/atom,ComputeDamageAtom) -#endif - diff --git a/src/POEMS/Install.csh b/src/POEMS/Install.csh index b2bcb2f1e14a4a38b71dda65f6e31724a71c4017..5be3629a299588a8ff2531e616b484ab2f8199b1 100644 --- a/src/POEMS/Install.csh +++ b/src/POEMS/Install.csh @@ -8,8 +8,6 @@ if ($1 == 1) then sed -i -e 's|^PKG_PATH =[ \t]*|&-L../../lib/poems |' ../Makefile.package sed -i -e 's|^PKG_LIB =[ \t]*|&-lpoems |' ../Makefile.package - cp style_poems.h .. - cp fix_poems.cpp .. cp fix_poems.h .. @@ -18,9 +16,6 @@ else if ($1 == 0) then sed -i -e 's/[^ \t]*poems //' ../Makefile.package - rm ../style_poems.h - touch ../style_poems.h - rm ../fix_poems.cpp rm ../fix_poems.h diff --git a/src/POEMS/fix_poems.h b/src/POEMS/fix_poems.h index c4c52da4f590250817d3515e8e5c723d5b68bb2f..c0269df1e92d05266fcd043361fc7ca0667f9ee9 100644 --- a/src/POEMS/fix_poems.h +++ b/src/POEMS/fix_poems.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------ */ -#ifndef FIX_POEMS_H -#define FIX_POEMS_H +#ifdef FIX_CLASS + +FixStyle(poems,FixPOEMS) + +#else + +#ifndef LMP_FIX_POEMS_H +#define LMP_FIX_POEMS_H #include "fix.h" @@ -106,3 +112,4 @@ class FixPOEMS : public Fix { } #endif +#endif diff --git a/src/POEMS/style_poems.h b/src/POEMS/style_poems.h deleted file mode 100644 index 0434d02bf87bed749af2c5f286aeab1f3cb093d9..0000000000000000000000000000000000000000 --- a/src/POEMS/style_poems.h +++ /dev/null @@ -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/PRD/Install.csh b/src/PRD/Install.csh index 3e73cf3c586ac01ea74dbd44191497c0f927e539..ad49bc8bb21a5b2ca26c8547eee9921e76ec21a4 100644 --- a/src/PRD/Install.csh +++ b/src/PRD/Install.csh @@ -2,8 +2,6 @@ if ($1 == 1) then - cp style_prd.h .. - cp compute_event_displace.cpp .. cp fix_event.cpp .. cp prd.cpp .. @@ -14,9 +12,6 @@ if ($1 == 1) then else if ($1 == 0) then - rm ../style_prd.h - touch ../style_prd.h - rm ../compute_event_displace.cpp rm ../fix_event.cpp rm ../prd.cpp diff --git a/src/PRD/compute_event_displace.h b/src/PRD/compute_event_displace.h index ece5a262e97ee582f81e055277e237400eefe8f7..393e4d1bec1b9ec87d2c45bac0d4cce4330e2a94 100644 --- a/src/PRD/compute_event_displace.h +++ b/src/PRD/compute_event_displace.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_EVENT_DISPLACE_H -#define COMPUTE_EVENT_DISPLACE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(event/displace,ComputeEventDisplace) + +#else + +#ifndef LMP_COMPUTE_EVENT_DISPLACE_H +#define LMP_COMPUTE_EVENT_DISPLACE_H #include "compute.h" @@ -36,3 +42,4 @@ class ComputeEventDisplace : public Compute { } #endif +#endif diff --git a/src/PRD/fix_event.h b/src/PRD/fix_event.h index ce58d5c6f4a9bb38ff717244edf4556a2d9298d3..6dc0b1ca2f98be7badca27a029c5aa6dc8458d6e 100644 --- a/src/PRD/fix_event.h +++ b/src/PRD/fix_event.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_EVENT_H -#define FIX_EVENT_H +#ifdef FIX_CLASS + +FixStyle(EVENT,FixEvent) + +#else + +#ifndef LMP_FIX_EVENT_H +#define LMP_FIX_EVENT_H #include "fix.h" @@ -53,3 +59,4 @@ class FixEvent : public Fix { } #endif +#endif diff --git a/src/PRD/prd.h b/src/PRD/prd.h index a2d88267ea425b683186442a9faec62e8e4dc308..8974df7b6c5824501b4f10c7bc06e423e4dc7d33 100644 --- a/src/PRD/prd.h +++ b/src/PRD/prd.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PRD_H -#define PRD_H +#ifdef COMMAND_CLASS + +CommandStyle(prd,PRD) + +#else + +#ifndef LMP_PRD_H +#define LMP_PRD_H #include "pointers.h" @@ -63,3 +69,4 @@ class PRD : protected Pointers { } #endif +#endif diff --git a/src/PRD/style_prd.h b/src/PRD/style_prd.h deleted file mode 100644 index 7db4a277eef36e457348451d75a4ed14dac7da2a..0000000000000000000000000000000000000000 --- a/src/PRD/style_prd.h +++ /dev/null @@ -1,36 +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 CommandInclude -#include "prd.h" -#endif - -#ifdef CommandClass -CommandStyle(prd,PRD) -#endif - -#ifdef ComputeInclude -#include "compute_event_displace.h" -#endif - -#ifdef ComputeClass -ComputeStyle(event/displace,ComputeEventDisplace) -#endif - -#ifdef FixInclude -#include "fix_event.h" -#endif - -#ifdef FixClass -FixStyle(EVENT,FixEvent) -#endif diff --git a/src/REAX/Install.csh b/src/REAX/Install.csh index ee7b4b4781f063ed2e06f62813ac89b3527b9957..b3a38d2a5b698566edf91deb3c444cb4bacb2603 100644 --- a/src/REAX/Install.csh +++ b/src/REAX/Install.csh @@ -11,8 +11,6 @@ if ($1 == 1) then sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(reax_SYSPATH) |' ../Makefile.package sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(reax_SYSLIB) |' ../Makefile.package - cp style_reax.h .. - cp pair_reax.cpp .. cp pair_reax.h .. cp pair_reax_fortran.h .. @@ -25,9 +23,6 @@ else if ($1 == 0) then sed -i -e 's/[^ \t]*reax //' ../Makefile.package sed -i -e 's/[^ \t]*reax_[^ \t]*) //' ../Makefile.package - rm ../style_reax.h - touch ../style_reax.h - rm ../pair_reax.cpp rm ../pair_reax.h rm ../pair_reax_fortran.h diff --git a/src/REAX/fix_reax_bonds.h b/src/REAX/fix_reax_bonds.h index 21a0100a56ae57d042ff44489a8e708531aabcb6..3e41432e982839236e65d919d07308c8fd09a14d 100644 --- a/src/REAX/fix_reax_bonds.h +++ b/src/REAX/fix_reax_bonds.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_REAX_BONDS_H -#define FIX_REAX_BONDS_H +#ifdef FIX_CLASS + +FixStyle(reax/bonds,FixReaxBonds) + +#else + +#ifndef LMP_FIX_REAX_BONDS_H +#define LMP_FIX_REAX_BONDS_H #include "stdio.h" #include "fix.h" @@ -40,3 +46,4 @@ class FixReaxBonds : public Fix { } #endif +#endif diff --git a/src/REAX/pair_reax.h b/src/REAX/pair_reax.h index 3c3aa215b1284b3ecbd12934eb34de0489c831c1..d35be0cf98a0041f899e4a7238a5b7c221e84784 100644 --- a/src/REAX/pair_reax.h +++ b/src/REAX/pair_reax.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_REAX_H -#define PAIR_REAX_H +#ifdef PAIR_CLASS + +PairStyle(reax,PairREAX) + +#else + +#ifndef LMP_PAIR_REAX_H +#define LMP_PAIR_REAX_H #include "pair.h" @@ -88,3 +94,4 @@ class PairREAX : public Pair { } #endif +#endif diff --git a/src/REAX/style_reax.h b/src/REAX/style_reax.h deleted file mode 100644 index 8a3af6048caa15c6abd10525ec0afc197bb53102..0000000000000000000000000000000000000000 --- a/src/REAX/style_reax.h +++ /dev/null @@ -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 FixInclude -#include "fix_reax_bonds.h" -#endif - -#ifdef PairInclude -#include "pair_reax.h" -#endif - -#ifdef FixClass -FixStyle(reax/bonds,FixReaxBonds) -#endif - -#ifdef PairClass -PairStyle(reax,PairREAX) -#endif diff --git a/src/USER-ACKLAND/Install.csh b/src/USER-ACKLAND/Install.csh index 6eb55a57ca993d07a82b38b65be189e0168c61b1..bd85762ef4b45f0899264959247a67a79086481d 100644 --- a/src/USER-ACKLAND/Install.csh +++ b/src/USER-ACKLAND/Install.csh @@ -2,17 +2,12 @@ if ($1 == 1) then - cp style_user_ackland.h .. - cp compute_ackland_atom.cpp .. cp compute_ackland_atom.h .. else if ($1 == 0) then - rm ../style_user_ackland.h - touch ../style_user_ackland.h - rm ../compute_ackland_atom.cpp rm ../compute_ackland_atom.h diff --git a/src/USER-ACKLAND/compute_ackland_atom.h b/src/USER-ACKLAND/compute_ackland_atom.h index 1c10110a45357493d711ee9a2ca97690c1d74b06..946827c4064fd0cbc969163c6de88040a314a284 100644 --- a/src/USER-ACKLAND/compute_ackland_atom.h +++ b/src/USER-ACKLAND/compute_ackland_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_ACKLAND_ATOM_H -#define COMPUTE_ACKLAND_ATOM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(ackland/atom,ComputeAcklandAtom) + +#else + +#ifndef LMP_COMPUTE_ACKLAND_ATOM_H +#define LMP_COMPUTE_ACKLAND_ATOM_H #include "compute.h" @@ -41,3 +47,4 @@ class ComputeAcklandAtom : public Compute { } #endif +#endif diff --git a/src/USER-ACKLAND/style_user_ackland.h b/src/USER-ACKLAND/style_user_ackland.h deleted file mode 100644 index 6e7483a9f72c47cf8a5e24ead5e8b4388f1c83d5..0000000000000000000000000000000000000000 --- a/src/USER-ACKLAND/style_user_ackland.h +++ /dev/null @@ -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 ComputeInclude -#include "compute_ackland_atom.h" -#endif - -#ifdef ComputeClass -ComputeStyle(ackland/atom,ComputeAcklandAtom) -#endif diff --git a/src/USER-ATC/Install.csh b/src/USER-ATC/Install.csh index 1f37ffd0854e938e17e904d6a591aa3baa93970d..47d2db12a4b1419b421198e9cb2f7fb73e511f03 100755 --- a/src/USER-ATC/Install.csh +++ b/src/USER-ATC/Install.csh @@ -11,8 +11,6 @@ if ($1 == 1) then sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(user-atc_SYSPATH) |' ../Makefile.package sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(user-atc_SYSLIB) |' ../Makefile.package - cp style_user_atc.h .. - cp fix_atc.h .. cp fix_atc.cpp .. @@ -21,9 +19,6 @@ else if ($1 == 0) then sed -i -e 's/[^ \t]*atc //' ../Makefile.package sed -i -e 's/[^ \t]*atc_[^ \t]*) //' ../Makefile.package - rm ../style_user_atc.h - touch ../style_user_atc.h - rm ../fix_atc.h rm ../fix_atc.cpp diff --git a/src/USER-ATC/fix_atc.h b/src/USER-ATC/fix_atc.h index 3dfacf1930d6bc70f29ac1f621e2600069632744..de9f1539ef5616a6038b786cc4967cb50f44cd70 100644 --- a/src/USER-ATC/fix_atc.h +++ b/src/USER-ATC/fix_atc.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_ATC_H -#define FIX_ATC_H +#ifdef FIX_CLASS + +FixStyle(atc,FixATC) + +#else + +#ifndef LMP_FIX_ATC_H +#define LMP_FIX_ATC_H #include "fix.h" @@ -84,3 +90,4 @@ namespace LAMMPS_NS { } #endif +#endif diff --git a/src/USER-ATC/style_user_atc.h b/src/USER-ATC/style_user_atc.h deleted file mode 100644 index 95f6fe86d7aa333fe7ca5559b4e9f723d69f59c5..0000000000000000000000000000000000000000 --- a/src/USER-ATC/style_user_atc.h +++ /dev/null @@ -1,20 +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 FixInclude -#include "fix_atc.h" -#endif - -#ifdef FixClass -FixStyle(atc,FixATC) -#endif diff --git a/src/USER-CD-EAM/Install.csh b/src/USER-CD-EAM/Install.csh index 60f847809ad3b1483bb47074f9fa2cba047e700c..95c17500f9874d4dbe651b2fdd5e796c7ffd216d 100755 --- a/src/USER-CD-EAM/Install.csh +++ b/src/USER-CD-EAM/Install.csh @@ -2,16 +2,11 @@ if ($1 == 1) then - cp style_user_cd_eam.h .. - cp pair_cdeam.cpp .. cp pair_cdeam.h .. else if ($1 == 0) then - rm ../style_user_cd_eam.h - touch ../style_user_cd_eam.h - rm ../pair_cdeam.cpp rm ../pair_cdeam.h diff --git a/src/USER-CD-EAM/pair_cdeam.h b/src/USER-CD-EAM/pair_cdeam.h index 3f121d461b99a055dc7196347dbf069e1946981c..e39923d568934ac46d121cf9bd586cd957126f0d 100644 --- a/src/USER-CD-EAM/pair_cdeam.h +++ b/src/USER-CD-EAM/pair_cdeam.h @@ -11,8 +11,15 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_CDEAM_H -#define PAIR_CDEAM_H +#ifdef PAIR_CLASS + +PairStyle(eam/cd,PairCDEAM_OneSite) +PairStyle(eam/cd/old,PairCDEAM_TwoSite) + +#else + +#ifndef LMP_PAIR_CDEAM_H +#define LMP_PAIR_CDEAM_H #include "pair_eam_alloy.h" @@ -220,3 +227,4 @@ public: }; #endif +#endif diff --git a/src/USER-CD-EAM/style_user_cd_eam.h b/src/USER-CD-EAM/style_user_cd_eam.h deleted file mode 100755 index 1c3bebd873626b9e1d6c36a1c05afa733d0c83ee..0000000000000000000000000000000000000000 --- a/src/USER-CD-EAM/style_user_cd_eam.h +++ /dev/null @@ -1,21 +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_cdeam.h" -#endif - -#ifdef PairClass -PairStyle(eam/cd,PairCDEAM_OneSite) -PairStyle(eam/cd/old,PairCDEAM_TwoSite) -#endif diff --git a/src/USER-CG-CMM/Install.csh b/src/USER-CG-CMM/Install.csh index f47836d48f573843b461203277355e0c81a0e08a..80b501dbf793bebda257693a83e7d347898a69a0 100644 --- a/src/USER-CG-CMM/Install.csh +++ b/src/USER-CG-CMM/Install.csh @@ -2,8 +2,6 @@ if ($1 == 1) then - cp style_user_cg_cmm.h .. - cp angle_cg_cmm.h .. cp angle_cg_cmm.cpp .. @@ -21,9 +19,6 @@ if ($1 == 1) then else if ($1 == 0) then - rm ../style_user_cg_cmm.h - touch ../style_user_cg_cmm.h - rm ../angle_cg_cmm.h rm ../angle_cg_cmm.cpp diff --git a/src/USER-CG-CMM/angle_cg_cmm.h b/src/USER-CG-CMM/angle_cg_cmm.h index c34ac71f1120f8c3c82c2681d965a5c9ae6b4269..ebf3da7663988003fe1e0e098aef8f423658de6a 100644 --- a/src/USER-CG-CMM/angle_cg_cmm.h +++ b/src/USER-CG-CMM/angle_cg_cmm.h @@ -8,14 +8,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -/* ---------------------------------------------------------------------- - Special Angle Potential for the CMM coarse grained MD potentials. - Contributing author: Axel Kohlmeyer <akohlmey@cmm.chem.upenn.edu> -------------------------------------------------------------------------- */ +#ifdef ANGLE_CLASS +AngleStyle(cg/cmm,AngleCGCMM) -#ifndef ANGLE_CG_CMM_H -#define ANGLE_CG_CMM_H +#else + +#ifndef LMP_ANGLE_CG_CMM_H +#define LMP_ANGLE_CG_CMM_H #include "stdio.h" #include "angle.h" @@ -49,3 +49,4 @@ class AngleCGCMM : public Angle, public CGCMMParms { } #endif +#endif diff --git a/src/USER-CG-CMM/cg_cmm_parms.h b/src/USER-CG-CMM/cg_cmm_parms.h index 3815cbb5ef3f3115af29c32096d701b5e28a7dca..723974413669ed44a19abeda03ae6eed307638d2 100644 --- a/src/USER-CG-CMM/cg_cmm_parms.h +++ b/src/USER-CG-CMM/cg_cmm_parms.h @@ -13,8 +13,8 @@ Contributing author: Axel Kohlmeyer <akohlmey@cmm.chem.upenn.edu> ------------------------------------------------------------------------- */ -#ifndef CG_CMM_PARMS_H -#define CG_CMM_PARMS_H +#ifndef LMP_CG_CMM_PARMS_H +#define LMP_CG_CMM_PARMS_H namespace LAMMPS_NS { diff --git a/src/USER-CG-CMM/pair_cg_cmm.h b/src/USER-CG-CMM/pair_cg_cmm.h index f3de701298551b01d0ec2673ca64b160b95d6bc0..190aab66ceb865862debb66015480550ad2faf93 100644 --- a/src/USER-CG-CMM/pair_cg_cmm.h +++ b/src/USER-CG-CMM/pair_cg_cmm.h @@ -8,8 +8,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_CG_CMM_H -#define PAIR_CG_CMM_H +#ifdef PAIR_CLASS + +PairStyle(cg/cmm,PairCGCMM) + +#else + +#ifndef LMP_PAIR_CG_CMM_H +#define LMP_PAIR_CG_CMM_H #include "pair_cmm_common.h" @@ -39,3 +45,4 @@ namespace LAMMPS_NS { } #endif +#endif diff --git a/src/USER-CG-CMM/pair_cg_cmm_coul_cut.h b/src/USER-CG-CMM/pair_cg_cmm_coul_cut.h index a74ab33a731eedb06b86c0a484dc1ff6ceb4781d..1e4d06003dc45c3b7cc5f7ef1ebe509e0c4c05ed 100644 --- a/src/USER-CG-CMM/pair_cg_cmm_coul_cut.h +++ b/src/USER-CG-CMM/pair_cg_cmm_coul_cut.h @@ -8,8 +8,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_CG_CMM_COUL_CUT_H -#define PAIR_CG_CMM_COUL_CUT_H +#ifdef PAIR_CLASS + +PairStyle(cg/cmm/coul/cut,PairCGCMMCoulCut) + +#else + +#ifndef LMP_PAIR_CG_CMM_COUL_CUT_H +#define LMP_PAIR_CG_CMM_COUL_CUT_H #include "pair_cmm_common.h" @@ -41,3 +47,4 @@ namespace LAMMPS_NS { } #endif +#endif diff --git a/src/USER-CG-CMM/pair_cg_cmm_coul_long.h b/src/USER-CG-CMM/pair_cg_cmm_coul_long.h index 96dcc81e4d50e0d1bfef86f495f5117144e02681..c1a272a1d6f788a280fc4f8674012fa7aadcefe9 100644 --- a/src/USER-CG-CMM/pair_cg_cmm_coul_long.h +++ b/src/USER-CG-CMM/pair_cg_cmm_coul_long.h @@ -8,8 +8,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_CG_CMM_COUL_LONG_H -#define PAIR_CG_CMM_COUL_LONG_H +#ifdef PAIR_CLASS + +PairStyle(cg/cmm/coul/long,PairCGCMMCoulLong) + +#else + +#ifndef LMP_PAIR_CG_CMM_COUL_LONG_H +#define LMP_PAIR_CG_CMM_COUL_LONG_H #include "pair_cmm_common.h" @@ -44,3 +50,4 @@ namespace LAMMPS_NS { } #endif +#endif diff --git a/src/USER-CG-CMM/pair_cmm_common.h b/src/USER-CG-CMM/pair_cmm_common.h index 46b3111579b641d9a7129cac7d273a38e38a2a48..72686cdb396b63e10784a034ffd45805e5f3660e 100644 --- a/src/USER-CG-CMM/pair_cmm_common.h +++ b/src/USER-CG-CMM/pair_cmm_common.h @@ -13,8 +13,8 @@ Contributing author: Axel Kohlmeyer <akohlmey@gmail.com> ------------------------------------------------------------------------- */ -#ifndef PAIR_CMM_COMMON_H -#define PAIR_CMM_COMMON_H +#ifndef LMP_PAIR_CMM_COMMON_H +#define LMP_PAIR_CMM_COMMON_H #include "pair.h" #include "atom.h" diff --git a/src/USER-CG-CMM/style_user_cg_cmm.h b/src/USER-CG-CMM/style_user_cg_cmm.h deleted file mode 100644 index 525eee3dd8e5cf5fbd1b430b559a67f8d5b59b81..0000000000000000000000000000000000000000 --- a/src/USER-CG-CMM/style_user_cg_cmm.h +++ /dev/null @@ -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 AngleInclude -#include "angle_cg_cmm.h" -#endif - -#ifdef AngleClass -AngleStyle(cg/cmm,AngleCGCMM) -#endif - -#ifdef PairInclude -#include "pair_cg_cmm.h" -#include "pair_cg_cmm_coul_cut.h" -#include "pair_cg_cmm_coul_long.h" -#endif - -#ifdef PairClass -PairStyle(cg/cmm,PairCGCMM) -PairStyle(cg/cmm/coul/cut,PairCGCMMCoulCut) -PairStyle(cg/cmm/coul/long,PairCGCMMCoulLong) -#endif diff --git a/src/USER-EWALDN/Install.csh b/src/USER-EWALDN/Install.csh index 786946702a856d0e5deb2ebcba6bfadf04599161..2e9260038d8aa0cd987ee601a0d6c357473fd4e5 100644 --- a/src/USER-EWALDN/Install.csh +++ b/src/USER-EWALDN/Install.csh @@ -2,8 +2,6 @@ if ($1 == 1) then - cp -p style_user_ewaldn.h .. - cp -p ewald_n.cpp .. cp -p pair_buck_coul.cpp .. cp -p pair_lj_coul.cpp .. @@ -17,9 +15,6 @@ if ($1 == 1) then else if ($1 == 0) then - rm ../style_user_ewaldn.h - touch ../style_user_ewaldn.h - rm ../ewald_n.cpp rm ../pair_buck_coul.cpp rm ../pair_lj_coul.cpp diff --git a/src/USER-EWALDN/ewald_n.h b/src/USER-EWALDN/ewald_n.h index 235a39d49f7461ac9c72c99111c015a5d1067c93..dcd372d2e0acd75ca72d7cd8b40502cdc2a583b3 100644 --- a/src/USER-EWALDN/ewald_n.h +++ b/src/USER-EWALDN/ewald_n.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef EWALD_N_H -#define EWALD_N_H +#ifdef KSPACE_CLASS + +KSpaceStyle(ewald/n,EwaldN) + +#else + +#ifndef LMP_EWALD_N_H +#define LMP_EWALD_N_H #include "kspace.h" #include "math_complex.h" @@ -73,4 +79,4 @@ class EwaldN : public KSpace { } #endif - +#endif diff --git a/src/USER-EWALDN/math_complex.h b/src/USER-EWALDN/math_complex.h index 01d98f95e6bbff17d981d04cb96ab67bf7c9700c..8bbb79356a03447f8d74b1426e8a0542ca75004c 100644 --- a/src/USER-EWALDN/math_complex.h +++ b/src/USER-EWALDN/math_complex.h @@ -15,8 +15,8 @@ Contributing author: Pieter J. in 't Veld (SNL) ------------------------------------------------------------------------- */ -#ifndef MATH_COMPLEX_H -#define MATH_COMPLEX_H +#ifndef LMP_MATH_COMPLEX_H +#define LMP_MATH_COMPLEX_H #define COMPLEX_NULL {0, 0} diff --git a/src/USER-EWALDN/math_vector.h b/src/USER-EWALDN/math_vector.h index f7747fcdb0ce993d55b5d626eae73a8330523bb5..3ab4caf523feeaa1fd2455f0e1e68610687e44e1 100644 --- a/src/USER-EWALDN/math_vector.h +++ b/src/USER-EWALDN/math_vector.h @@ -15,8 +15,8 @@ Contributing author: Pieter J. in 't Veld (SNL) ------------------------------------------------------------------------- */ -#ifndef MATH_VECTOR_H -#define MATH_VECTOR_H +#ifndef LMP_MATH_VECTOR_H +#define LMP_MATH_VECTOR_H #include "math.h" diff --git a/src/USER-EWALDN/pair_buck_coul.h b/src/USER-EWALDN/pair_buck_coul.h index 0684dc9ce4573d9379f97341559329eacc907f0b..e19759e46df7f2b807874fab91a26261b36d8772 100644 --- a/src/USER-EWALDN/pair_buck_coul.h +++ b/src/USER-EWALDN/pair_buck_coul.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_BUCK_COUL_H -#define PAIR_BUCK_COUL_H +#ifdef PAIR_CLASS + +PairStyle(buck/coul,PairBuckCoul) + +#else + +#ifndef LMP_PAIR_BUCK_COUL_H +#define LMP_PAIR_BUCK_COUL_H #include "pair.h" @@ -67,3 +73,4 @@ class PairBuckCoul : public Pair { } #endif +#endif diff --git a/src/USER-EWALDN/pair_lj_coul.h b/src/USER-EWALDN/pair_lj_coul.h index d54c45c496121330c5d96d2c0e065d7504ab8068..815c5c548e2a11e51f3b51343c25b1297d5e097b 100644 --- a/src/USER-EWALDN/pair_lj_coul.h +++ b/src/USER-EWALDN/pair_lj_coul.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_COUL_H -#define PAIR_LJ_COUL_H +#ifdef PAIR_CLASS + +PairStyle(lj/coul,PairLJCoul) + +#else + +#ifndef LMP_PAIR_LJ_COUL_H +#define LMP_PAIR_LJ_COUL_H #include "pair.h" @@ -66,3 +72,4 @@ class PairLJCoul : public Pair { } #endif +#endif diff --git a/src/USER-EWALDN/style_user_ewaldn.h b/src/USER-EWALDN/style_user_ewaldn.h deleted file mode 100644 index 3eafa507441e70e53d489f0c0f14ce84df000df4..0000000000000000000000000000000000000000 --- a/src/USER-EWALDN/style_user_ewaldn.h +++ /dev/null @@ -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 KSpaceInclude -#include "ewald_n.h" -#endif - -#ifdef KSpaceClass -KSpaceStyle(ewald/n,EwaldN) -#endif - -#ifdef PairInclude -#include "pair_buck_coul.h" -#include "pair_lj_coul.h" -#endif - -#ifdef PairClass -PairStyle(buck/coul,PairBuckCoul) -PairStyle(lj/coul,PairLJCoul) -#endif diff --git a/src/USER-IMD/Install.csh b/src/USER-IMD/Install.csh index 5e0474673e5bad45fd7a3c25019a692dfa853d5f..7ee2b47e3ec05dcf58d56474f425cbd021338c43 100644 --- a/src/USER-IMD/Install.csh +++ b/src/USER-IMD/Install.csh @@ -2,17 +2,12 @@ if ($1 == 1) then - cp -p style_user_imd.h .. - cp -p fix_imd.cpp .. cp -p fix_imd.h .. else if ($1 == 0) then - rm ../style_user_imd.h - touch ../style_user_imd.h - rm ../fix_imd.cpp rm ../fix_imd.h diff --git a/src/USER-IMD/fix_imd.h b/src/USER-IMD/fix_imd.h index 906d8e7f8f869e613c315831bf55ab8b561610b6..b512659db7ebc4b635f648936d24a33bad795e21 100644 --- a/src/USER-IMD/fix_imd.h +++ b/src/USER-IMD/fix_imd.h @@ -41,8 +41,14 @@ license with Illinois. Licensee may contact Illinois (vmd@ks.uiuc.edu) to negotiate an appropriate license for such distribution." ------------------------------------------------------------------------- */ -#ifndef FIX_IMD_H -#define FIX_IMD_H +#ifdef FIX_CLASS + +FixStyle(imd,FixIMD) + +#else + +#ifndef LMP_FIX_IMD_H +#define LMP_FIX_IMD_H #include "fix.h" @@ -91,6 +97,7 @@ class FixIMD : public Fix { } +#endif #endif // Local Variables: @@ -100,4 +107,3 @@ class FixIMD : public Fix { // fill-column: 76 // indent-tabs-mode: nil // End: - diff --git a/src/USER-IMD/style_user_imd.h b/src/USER-IMD/style_user_imd.h deleted file mode 100644 index 9b44bbdeb4526ffab2b44865a96a32feb1ca67b3..0000000000000000000000000000000000000000 --- a/src/USER-IMD/style_user_imd.h +++ /dev/null @@ -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_imd.h" -#endif - -#ifdef FixClass -FixStyle(imd,FixIMD) -#endif diff --git a/src/USER-SMD/Install.csh b/src/USER-SMD/Install.csh index 1fc6a671fd96359f451b0ea256b6d54f6c0f3208..d5fa4c3d763ff52ab007dbd5d447a7a4a9db81a0 100644 --- a/src/USER-SMD/Install.csh +++ b/src/USER-SMD/Install.csh @@ -2,17 +2,12 @@ if ($1 == 1) then - cp -p style_user_smd.h .. - cp -p fix_smd.cpp .. cp -p fix_smd.h .. else if ($1 == 0) then - rm ../style_user_smd.h - touch ../style_user_smd.h - rm ../fix_smd.cpp rm ../fix_smd.h diff --git a/src/USER-SMD/fix_smd.h b/src/USER-SMD/fix_smd.h index 0a2da064da69cf2735672bf4ea64a508afa8727a..5319ca955868a20a9416e25e23cfc1ae31785cd0 100644 --- a/src/USER-SMD/fix_smd.h +++ b/src/USER-SMD/fix_smd.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_SMD_H -#define FIX_SMD_H +#ifdef FIX_CLASS + +FixStyle(smd,FixSMD) + +#else + +#ifndef LMP_FIX_SMD_H +#define LMP_FIX_SMD_H #include "fix.h" @@ -51,3 +57,4 @@ class FixSMD : public Fix { } #endif +#endif diff --git a/src/USER-SMD/style_user_smd.h b/src/USER-SMD/style_user_smd.h deleted file mode 100644 index e9f017ac2b35be410d36ee5f776ac3121e15ab28..0000000000000000000000000000000000000000 --- a/src/USER-SMD/style_user_smd.h +++ /dev/null @@ -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_smd.h" -#endif - -#ifdef FixClass -FixStyle(smd,FixSMD) -#endif diff --git a/src/XTC/Install.csh b/src/XTC/Install.csh index bb1573f031b5da1ddbf64b62261ed17e224fa6f4..5f0a54a13f5888d1f0658ecde9e2484f4acc4c94 100644 --- a/src/XTC/Install.csh +++ b/src/XTC/Install.csh @@ -2,8 +2,6 @@ if ($1 == 1) then - cp style_xtc.h .. - cp dump_xtc.cpp .. cp dump_xtc.h .. @@ -13,9 +11,6 @@ if ($1 == 1) then else if ($1 == 0) then - rm ../style_xtc.h - touch ../style_xtc.h - rm ../dump_xtc.cpp rm ../dump_xtc.h diff --git a/src/XTC/dump_xtc.h b/src/XTC/dump_xtc.h index eabbb2b3ff0203de6825faade0df148b2a6807e5..34392ea1d98aecbb6ddeb4b012b70ce0a9c5e139 100644 --- a/src/XTC/dump_xtc.h +++ b/src/XTC/dump_xtc.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DUMP_XTC_H -#define DUMP_XTC_H +#ifdef DUMP_CLASS + +DumpStyle(xtc,DumpXTC) + +#else + +#ifndef LMP_DUMP_XTC_H +#define LMP_DUMP_XTC_H #include "dump.h" @@ -53,3 +59,4 @@ class DumpXTC : public Dump { } #endif +#endif diff --git a/src/XTC/style_xtc.h b/src/XTC/style_xtc.h deleted file mode 100644 index 7110dda3121b80d9db78f85355f6563459cdf911..0000000000000000000000000000000000000000 --- a/src/XTC/style_xtc.h +++ /dev/null @@ -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/src/XTC/xdr_compat.h b/src/XTC/xdr_compat.h index 78863c2130a34698b6240eaf0237e769fa22bc29..c52fa5198a3978fe005da56da27b679848559408 100644 --- a/src/XTC/xdr_compat.h +++ b/src/XTC/xdr_compat.h @@ -1,5 +1,5 @@ -#ifndef XDR_COMPAT_H -#define XDR_COMPAT_H +#ifndef LMP_XDR_COMPAT_H +#define LMP_XDR_COMPAT_H #include <limits.h> #include <stdio.h> @@ -83,12 +83,12 @@ enum xdr_op { XDR_FREE = 2 }; -#ifndef FALSE -# define FALSE (0) -#endif -#ifndef TRUE -# define TRUE (1) +#ifndef LMP_FALSE +# dLMP_efine FALSE (0) #endif +#ifndef LMP_TRUE +# dLMP_efine TLMP_RUE (1) +#endifLMP_ #define BYTES_PER_XDR_UNIT (4) diff --git a/src/angle.h b/src/angle.h index a73db948bc999780f87f3b5dd8fb252b35ce0e51..db1a6ae02facfd48f13850eecfe92d2234c533bd 100644 --- a/src/angle.h +++ b/src/angle.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ANGLE_H -#define ANGLE_H +#ifndef LMP_ANGLE_H +#define LMP_ANGLE_H #include "stdio.h" #include "pointers.h" diff --git a/src/atom.cpp b/src/atom.cpp index 38186944e0a16e45b68c89364b1db934f151d252..0b1f2db5530ac5af325301347071b12eb825cc3c 100644 --- a/src/atom.cpp +++ b/src/atom.cpp @@ -16,6 +16,7 @@ #include "stdlib.h" #include "string.h" #include "atom.h" +#include "style_atom.h" #include "atom_vec.h" #include "comm.h" #include "force.h" @@ -29,10 +30,6 @@ #include "memory.h" #include "error.h" -#define AtomInclude -#include "style.h" -#undef AtomInclude - using namespace LAMMPS_NS; #define DELTA 1 @@ -252,11 +249,11 @@ AtomVec *Atom::new_avec(const char *style, int narg, char **arg) { if (0) return NULL; -#define AtomClass +#define ATOM_CLASS #define AtomStyle(key,Class) \ else if (strcmp(style,#key) == 0) return new Class(lmp,narg,arg); -#include "style.h" -#undef AtomClass +#include "style_atom.h" +#undef ATOM_CLASS else error->all("Invalid atom style"); return NULL; diff --git a/src/atom.h b/src/atom.h index 33d4668e78feae963ad2da7e1ea05c626796d090..13bf637ae4aab07b5d4a34cf01a296d0f356a614 100644 --- a/src/atom.h +++ b/src/atom.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ATOM_H -#define ATOM_H +#ifndef LMP_ATOM_H +#define LMP_ATOM_H #include "pointers.h" diff --git a/src/atom_vec.h b/src/atom_vec.h index 92ea2d9011f8819c8d0ee0a0c0612ed470d63e2d..71ffb1dd4653aee18fc191c304b28db200c7aef6 100644 --- a/src/atom_vec.h +++ b/src/atom_vec.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FOO_H -#define FOO_H +#ifndef LMP_ATOM_VEC_H +#define LMP_ATOM_VEC_H #include "pointers.h" diff --git a/src/atom_vec_atomic.h b/src/atom_vec_atomic.h index 25cda44bdecdf438331c0c299a2dabf99f918a03..af7de46d80acdd08b1738598feba91c4bce7c837 100644 --- a/src/atom_vec_atomic.h +++ b/src/atom_vec_atomic.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ATOM_VEC_ATOMIC_H -#define ATOM_VEC_ATOMIC_H +#ifdef ATOM_CLASS + +AtomStyle(atomic,AtomVecAtomic) + +#else + +#ifndef LMP_ATOM_VEC_ATOMIC_H +#define LMP_ATOM_VEC_ATOMIC_H #include "atom_vec.h" @@ -52,3 +58,4 @@ class AtomVecAtomic : public AtomVec { } #endif +#endif diff --git a/src/atom_vec_charge.h b/src/atom_vec_charge.h index 81a6374a1385fe3a31edf124a7e5d13cea4579d2..20a1cd221c0e47e75ca0e69de44f673d41322f48 100644 --- a/src/atom_vec_charge.h +++ b/src/atom_vec_charge.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ATOM_VEC_CHARGE_H -#define ATOM_VEC_CHARGE_H +#ifdef ATOM_CLASS + +AtomStyle(charge,AtomVecCharge) + +#else + +#ifndef LMP_ATOM_VEC_CHARGE_H +#define LMP_ATOM_VEC_CHARGE_H #include "atom_vec.h" @@ -55,3 +61,4 @@ class AtomVecCharge : public AtomVec { } #endif +#endif diff --git a/src/atom_vec_hybrid.h b/src/atom_vec_hybrid.h index 036bddaa6a430a55e5895169174d52eab948f42e..ac0e1c178e533898546feba40694228c570dee09 100644 --- a/src/atom_vec_hybrid.h +++ b/src/atom_vec_hybrid.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ATOM_VEC_HYBRID_H -#define ATOM_VEC_HYBRID_H +#ifdef ATOM_CLASS + +AtomStyle(hybrid,AtomVecHybrid) + +#else + +#ifndef LMP_ATOM_VEC_HYBRID_H +#define LMP_ATOM_VEC_HYBRID_H #include "atom_vec.h" @@ -59,3 +65,4 @@ class AtomVecHybrid : public AtomVec { } #endif +#endif diff --git a/src/bond.h b/src/bond.h index e879c0e004dbb9696b37229cce677396961d961b..551d84b51fff497762eeff9b3f591adb2c77a451 100644 --- a/src/bond.h +++ b/src/bond.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef BOND_H -#define BOND_H +#ifndef LMP_BOND_H +#define LMP_BOND_H #include "stdio.h" #include "pointers.h" diff --git a/src/bond_hybrid.h b/src/bond_hybrid.h index bc103413357de1d0909b532accac3535a912f9a2..acdee75063925bea3ed3de955047ff5a9421eeac 100644 --- a/src/bond_hybrid.h +++ b/src/bond_hybrid.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef BOND_HYBRID_H -#define BOND_HYBRID_H +#ifdef BOND_CLASS + +BondStyle(hybrid,BondHybrid) + +#else + +#ifndef LMP_BOND_HYBRID_H +#define LMP_BOND_HYBRID_H #include "stdio.h" #include "bond.h" @@ -51,3 +57,4 @@ class BondHybrid : public Bond { } #endif +#endif diff --git a/src/change_box.h b/src/change_box.h index 1dcc5d963493e25e07a171ae1a4c5d2e4ef1cbd5..eb0c7f4e889761d0528f10dbedfed73ee7556040 100644 --- a/src/change_box.h +++ b/src/change_box.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef CHANGE_BOX_H -#define CHANGE_BOX_H +#ifdef COMMAND_CLASS + +CommandStyle(change_box,ChangeBox) + +#else + +#ifndef LMP_CHANGE_BOX_H +#define LMP_CHANGE_BOX_H #include "pointers.h" @@ -27,3 +33,4 @@ class ChangeBox : protected Pointers { } #endif +#endif diff --git a/src/comm.h b/src/comm.h index e51d14870f75ea9fb7b4c3a15b8b3c071cce01ed..5c9bad339dc39a3e49472be03e600c41bb0bbf44 100644 --- a/src/comm.h +++ b/src/comm.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMM_H -#define COMM_H +#ifndef LMP_COMM_H +#define LMP_COMM_H #include "pointers.h" diff --git a/src/compute.h b/src/compute.h index 6a4070ed2e4b9698f98ef67e0d0b086a344916d7..1c604e4060d9cb0a384b1a9d3831c6182e737382 100644 --- a/src/compute.h +++ b/src/compute.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_H -#define COMPUTE_H +#ifndef LMP_COMPUTE_H +#define LMP_COMPUTE_H #include "pointers.h" diff --git a/src/compute_angle_local.h b/src/compute_angle_local.h index bdeddb494daad9611a8b22365055213150e645c3..0c3ece25dafb1881cec5b5e680d3503003f402ee 100644 --- a/src/compute_angle_local.h +++ b/src/compute_angle_local.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_ANGLE_LOCAL_H -#define COMPUTE_ANGLE_LOCAL_H +#ifdef COMPUTE_CLASS + +ComputeStyle(angle/local,ComputeAngleLocal) + +#else + +#ifndef LMP_COMPUTE_ANGLE_LOCAL_H +#define LMP_COMPUTE_ANGLE_LOCAL_H #include "compute.h" @@ -41,3 +47,4 @@ class ComputeAngleLocal : public Compute { } #endif +#endif diff --git a/src/compute_bond_local.h b/src/compute_bond_local.h index 1fda30c48b82e3ce1932bfebaecec089bca6aa50..be2724f08a62a38622243bf73f0dc61856722cee 100644 --- a/src/compute_bond_local.h +++ b/src/compute_bond_local.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_BOND_LOCAL_H -#define COMPUTE_BOND_LOCAL_H +#ifdef COMPUTE_CLASS + +ComputeStyle(bond/local,ComputeBondLocal) + +#else + +#ifndef LMP_COMPUTE_BOND_LOCAL_H +#define LMP_COMPUTE_BOND_LOCAL_H #include "compute.h" @@ -41,3 +47,4 @@ class ComputeBondLocal : public Compute { } #endif +#endif diff --git a/src/compute_centro_atom.h b/src/compute_centro_atom.h index d09b69714b59ce6568bebfc06c7b9679258e352d..1828799bfafb96b6a6cb7c9be1fa8279f813b176 100644 --- a/src/compute_centro_atom.h +++ b/src/compute_centro_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_CENTRO_ATOM_H -#define COMPUTE_CENTRO_ATOM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(centro/atom,ComputeCentroAtom) + +#else + +#ifndef LMP_COMPUTE_CENTRO_ATOM_H +#define LMP_COMPUTE_CENTRO_ATOM_H #include "compute.h" @@ -41,3 +47,4 @@ class ComputeCentroAtom : public Compute { } #endif +#endif diff --git a/src/compute_cna_atom.h b/src/compute_cna_atom.h index e0690b6f173e02deeeb7f7dc3e8936b3be07f00d..ceae403694111423107017e5bf54eead2d3c4366 100644 --- a/src/compute_cna_atom.h +++ b/src/compute_cna_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_CNA_ATOM_H -#define COMPUTE_CNA_ATOM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(cna/atom,ComputeCNAAtom) + +#else + +#ifndef LMP_COMPUTE_CNA_ATOM_H +#define LMP_COMPUTE_CNA_ATOM_H #include "compute.h" @@ -39,3 +45,4 @@ class ComputeCNAAtom : public Compute { } #endif +#endif diff --git a/src/compute_com.h b/src/compute_com.h index d07254465c9896fca65c8e392e4eab2a9af03cd5..476e599cf73f2d1a449187a4960fcda0c2f03e5a 100644 --- a/src/compute_com.h +++ b/src/compute_com.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_COM_H -#define COMPUTE_COM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(com,ComputeCOM) + +#else + +#ifndef LMP_COMPUTE_COM_H +#define LMP_COMPUTE_COM_H #include "compute.h" @@ -32,3 +38,4 @@ class ComputeCOM : public Compute { } #endif +#endif diff --git a/src/compute_com_molecule.h b/src/compute_com_molecule.h index 517f7a66cdee6271fcfb5cee59342414ec9014e1..4e6220d603e40782d9f51015d084cc89d0fb0c88 100644 --- a/src/compute_com_molecule.h +++ b/src/compute_com_molecule.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_COM_MOLECULE_H -#define COMPUTE_COM_MOLECULE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(com/molecule,ComputeCOMMolecule) + +#else + +#ifndef LMP_COMPUTE_COM_MOLECULE_H +#define LMP_COMPUTE_COM_MOLECULE_H #include "compute.h" @@ -37,3 +43,4 @@ class ComputeCOMMolecule : public Compute { } #endif +#endif diff --git a/src/compute_coord_atom.h b/src/compute_coord_atom.h index cd174f153a3308b38bc8a9f60ef38cfd5b40e5c7..82d89961dc1f40bdfc64d68960c504d214a6ce2d 100644 --- a/src/compute_coord_atom.h +++ b/src/compute_coord_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_COORD_ATOM_H -#define COMPUTE_COORD_ATOM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(coord/atom,ComputeCoordAtom) + +#else + +#ifndef LMP_COMPUTE_COORD_ATOM_H +#define LMP_COMPUTE_COORD_ATOM_H #include "compute.h" @@ -37,3 +43,4 @@ class ComputeCoordAtom : public Compute { } #endif +#endif diff --git a/src/compute_dihedral_local.h b/src/compute_dihedral_local.h index bda6f1a6f67b3d67a8a45293fbd22b55cb533734..2683cc4776be00169d63a92348a9037797e67c58 100644 --- a/src/compute_dihedral_local.h +++ b/src/compute_dihedral_local.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_DIHEDRAL_LOCAL_H -#define COMPUTE_DIHEDRAL_LOCAL_H +#ifdef COMPUTE_CLASS + +ComputeStyle(dihedral/local,ComputeDihedralLocal) + +#else + +#ifndef LMP_COMPUTE_DIHEDRAL_LOCAL_H +#define LMP_COMPUTE_DIHEDRAL_LOCAL_H #include "compute.h" @@ -41,3 +47,4 @@ class ComputeDihedralLocal : public Compute { } #endif +#endif diff --git a/src/compute_displace_atom.h b/src/compute_displace_atom.h index 9db79ac4ba5e6cc5c705a92cd7af0d399e359d6e..7f43047b13e9912c40170ffb6436ee8e33e13372 100644 --- a/src/compute_displace_atom.h +++ b/src/compute_displace_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_DISPLACE_ATOM_H -#define COMPUTE_DISPLACE_ATOM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(displace/atom,ComputeDisplaceAtom) + +#else + +#ifndef LMP_COMPUTE_DISPLACE_ATOM_H +#define LMP_COMPUTE_DISPLACE_ATOM_H #include "compute.h" @@ -36,3 +42,4 @@ class ComputeDisplaceAtom : public Compute { } #endif +#endif diff --git a/src/compute_erotate_sphere.h b/src/compute_erotate_sphere.h index 50cf324794e7ab58988226336aa7f4600d9d36f4..7c9d7dd4f024165b14f776fbc5c0a5368d49ed95 100644 --- a/src/compute_erotate_sphere.h +++ b/src/compute_erotate_sphere.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_EROTATE_SPHERE_H -#define COMPUTE_EROTATE_SPHERE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(erotate/sphere,ComputeERotateSphere) + +#else + +#ifndef LMP_COMPUTE_EROTATE_SPHERE_H +#define LMP_COMPUTE_EROTATE_SPHERE_H #include "compute.h" @@ -32,3 +38,4 @@ class ComputeERotateSphere : public Compute { } #endif +#endif diff --git a/src/compute_group_group.h b/src/compute_group_group.h index 65d47e5fe653d947e4fe3cd6454aea5afea1c2b0..a3e76407e47f9bc0ea2ca12537d5d48b5099cbf6 100644 --- a/src/compute_group_group.h +++ b/src/compute_group_group.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_GROUP_GROUP_H -#define COMPUTE_GROUP_GROUP_H +#ifdef COMPUTE_CLASS + +ComputeStyle(group/group,ComputeGroupGroup) + +#else + +#ifndef LMP_COMPUTE_GROUP_GROUP_H +#define LMP_COMPUTE_GROUP_GROUP_H #include "compute.h" @@ -40,3 +46,4 @@ class ComputeGroupGroup : public Compute { } #endif +#endif diff --git a/src/compute_gyration.h b/src/compute_gyration.h index 899b42b4a3c579b2b6675af111b9206103387357..d24a889141900c538fd69de881b70f7ded87fd6a 100644 --- a/src/compute_gyration.h +++ b/src/compute_gyration.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_GYRATION_H -#define COMPUTE_GYRATION_H +#ifdef COMPUTE_CLASS + +ComputeStyle(gyration,ComputeGyration) + +#else + +#ifndef LMP_COMPUTE_GYRATION_H +#define LMP_COMPUTE_GYRATION_H #include "compute.h" @@ -32,3 +38,4 @@ class ComputeGyration : public Compute { } #endif +#endif diff --git a/src/compute_gyration_molecule.h b/src/compute_gyration_molecule.h index 965c849cf84f14da703fa355489f9cd5c59c7d30..ae720048e4b34814f0b462463bdb53292eaa69a0 100644 --- a/src/compute_gyration_molecule.h +++ b/src/compute_gyration_molecule.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_GYRATION_MOLECULE_H -#define COMPUTE_GYRATION_MOLECULE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(gyration/molecule,ComputeGyrationMolecule) + +#else + +#ifndef LMP_COMPUTE_GYRATION_MOLECULE_H +#define LMP_COMPUTE_GYRATION_MOLECULE_H #include "compute.h" @@ -38,3 +44,4 @@ class ComputeGyrationMolecule : public Compute { } #endif +#endif diff --git a/src/compute_heat_flux.h b/src/compute_heat_flux.h index 54aac14d79f4083ece9c7f7697f9831270bbe2d2..f332c79afa32411d77d29b3fd8a4f2e1ab61a575 100644 --- a/src/compute_heat_flux.h +++ b/src/compute_heat_flux.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_HEATFLUX_H -#define COMPUTE_HEATFLUX_H +#ifdef COMPUTE_CLASS + +ComputeStyle(heat/flux,ComputeHeatFlux) + +#else + +#ifndef LMP_COMPUTE_HEAT_FLUX_H +#define LMP_COMPUTE_HEAT_FLUX_H #include "compute.h" @@ -37,3 +43,4 @@ class ComputeHeatFlux : public Compute { } #endif +#endif diff --git a/src/compute_improper_local.h b/src/compute_improper_local.h index 619f3a2eb242c1f39a049cda1335b78d93234358..fa97afc715add9f9db82ba890f786e5572afdfbb 100644 --- a/src/compute_improper_local.h +++ b/src/compute_improper_local.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_IMPROPER_LOCAL_H -#define COMPUTE_IMPROPER_LOCAL_H +#ifdef COMPUTE_CLASS + +ComputeStyle(improper/local,ComputeImproperLocal) + +#else + +#ifndef LMP_COMPUTE_IMPROPER_LOCAL_H +#define LMP_COMPUTE_IMPROPER_LOCAL_H #include "compute.h" @@ -41,3 +47,4 @@ class ComputeImproperLocal : public Compute { } #endif +#endif diff --git a/src/compute_ke.h b/src/compute_ke.h index 48c706a823bc0836280851d6e51dbe03ec43e161..188debb3c39ab9ee0ba81d2a9eb2b32beb297dec 100644 --- a/src/compute_ke.h +++ b/src/compute_ke.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_KE_H -#define COMPUTE_KE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(ke,ComputeKE) + +#else + +#ifndef LMP_COMPUTE_KE_H +#define LMP_COMPUTE_KE_H #include "compute.h" @@ -31,3 +37,4 @@ class ComputeKE : public Compute { } #endif +#endif diff --git a/src/compute_ke_atom.h b/src/compute_ke_atom.h index c7791ffdfb609541f8c5fc7d2c435b6384e07e61..7057dc33ec13699a12390635e9f01b3b6946f09b 100644 --- a/src/compute_ke_atom.h +++ b/src/compute_ke_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_KE_ATOM_H -#define COMPUTE_KE_ATOM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(ke/atom,ComputeKEAtom) + +#else + +#ifndef LMP_COMPUTE_KE_ATOM_H +#define LMP_COMPUTE_KE_ATOM_H #include "compute.h" @@ -34,3 +40,4 @@ class ComputeKEAtom : public Compute { } #endif +#endif diff --git a/src/compute_msd.h b/src/compute_msd.h index 37829e4aa2f00b66dad4bf9fabe000576047d3f4..b93511abe5cc5483679bfd1f9d0da7257cbb47e6 100644 --- a/src/compute_msd.h +++ b/src/compute_msd.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_MSD_H -#define COMPUTE_MSD_H +#ifdef COMPUTE_CLASS + +ComputeStyle(msd,ComputeMSD) + +#else + +#ifndef LMP_COMPUTE_MSD_H +#define LMP_COMPUTE_MSD_H #include "compute.h" @@ -35,3 +41,4 @@ class ComputeMSD : public Compute { } #endif +#endif diff --git a/src/compute_msd_molecule.h b/src/compute_msd_molecule.h index 8394deaa8a79b05e5d7e781e99968429793dae43..a31e0e61419ab85bfd00284c313f0759302fed3a 100644 --- a/src/compute_msd_molecule.h +++ b/src/compute_msd_molecule.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_MSD_MOLECULE_H -#define COMPUTE_MSD_MOLECULE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(msd/molecule,ComputeMSDMolecule) + +#else + +#ifndef LMP_COMPUTE_MSD_MOLECULE_H +#define LMP_COMPUTE_MSD_MOLECULE_H #include "compute.h" @@ -39,3 +45,4 @@ class ComputeMSDMolecule : public Compute { } #endif +#endif diff --git a/src/compute_pair_local.h b/src/compute_pair_local.h index 3a385a1737940d536da14f8f16cd37d6d22e3afc..e6706c193f3b5725a8ff0166e9aee27e27425627 100644 --- a/src/compute_pair_local.h +++ b/src/compute_pair_local.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_PAIR_LOCAL_H -#define COMPUTE_PAIR_LOCAL_H +#ifdef COMPUTE_CLASS + +ComputeStyle(pair/local,ComputePairLocal) + +#else + +#ifndef LMP_COMPUTE_PAIR_LOCAL_H +#define LMP_COMPUTE_PAIR_LOCAL_H #include "compute.h" @@ -44,3 +50,4 @@ class ComputePairLocal : public Compute { } #endif +#endif diff --git a/src/compute_pe.h b/src/compute_pe.h index 8b2c7bb9e6e714cf28499828f29e8851d29b9e78..47162d084e866e48c4955f924de3751dfe994431 100644 --- a/src/compute_pe.h +++ b/src/compute_pe.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_PE_H -#define COMPUTE_PE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(pe,ComputePE) + +#else + +#ifndef LMP_COMPUTE_PE_H +#define LMP_COMPUTE_PE_H #include "compute.h" @@ -32,3 +38,4 @@ class ComputePE : public Compute { } #endif +#endif diff --git a/src/compute_pe_atom.h b/src/compute_pe_atom.h index 13065aaca65aa95d6cc0976612b2f83afbf381ea..c53eeaca82da525ef3177d03ce70efcb6b4fa5a9 100755 --- a/src/compute_pe_atom.h +++ b/src/compute_pe_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_PE_ATOM_H -#define COMPUTE_PE_ATOM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(pe/atom,ComputePEAtom) + +#else + +#ifndef LMP_COMPUTE_PE_ATOM_H +#define LMP_COMPUTE_PE_ATOM_H #include "compute.h" @@ -37,3 +43,4 @@ class ComputePEAtom : public Compute { } #endif +#endif diff --git a/src/compute_pressure.h b/src/compute_pressure.h index 54a04dc738b1a41d1804dc5bea7a88f6d2035f2b..2e362ab2222d732dac344c55786ddd0c2213da89 100644 --- a/src/compute_pressure.h +++ b/src/compute_pressure.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_PRESSURE_H -#define COMPUTE_PRESSURE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(pressure,ComputePressure) + +#else + +#ifndef LMP_COMPUTE_PRESSURE_H +#define LMP_COMPUTE_PRESSURE_H #include "compute.h" @@ -44,3 +50,4 @@ class ComputePressure : public Compute { } #endif +#endif diff --git a/src/compute_property_atom.h b/src/compute_property_atom.h index 43a38bd89191c554a3042c1b8a103d48d212be2a..0c93bdbe7a88fb961f51d2912bd9abe68e00fefb 100644 --- a/src/compute_property_atom.h +++ b/src/compute_property_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_PROPERTY_ATOM_H -#define COMPUTE_PROPERTY_ATOM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(property/atom,ComputePropertyAtom) + +#else + +#ifndef LMP_COMPUTE_PROPERTY_ATOM_H +#define LMP_COMPUTE_PROPERTY_ATOM_H #include "compute.h" @@ -89,3 +95,4 @@ class ComputePropertyAtom : public Compute { } #endif +#endif diff --git a/src/compute_property_local.h b/src/compute_property_local.h index 9bbe10477efcdab938cac4b78bed985f5acbb0ea..59935acfe1c16cc5724b6b688adb5b603b92aff0 100644 --- a/src/compute_property_local.h +++ b/src/compute_property_local.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_PROPERTY_LOCAL_H -#define COMPUTE_PROPERTY_LOCAL_H +#ifdef COMPUTE_CLASS + +ComputeStyle(property/local,ComputePropertyLocal) + +#else + +#ifndef LMP_COMPUTE_PROPERTY_LOCAL_H +#define LMP_COMPUTE_PROPERTY_LOCAL_H #include "compute.h" @@ -78,3 +84,4 @@ class ComputePropertyLocal : public Compute { } #endif +#endif diff --git a/src/compute_property_molecule.h b/src/compute_property_molecule.h index f564d61b30db101c249a0238ed7d90110d25ce64..ce0f0fcae32ecb7fbe21692426fc728e3b5766a2 100644 --- a/src/compute_property_molecule.h +++ b/src/compute_property_molecule.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_PROPERTY_MOLECULE_H -#define COMPUTE_PROPERTY_MOLECULE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(property/molecule,ComputePropertyMolecule) + +#else + +#ifndef LMP_COMPUTE_PROPERTY_MOLECULE_H +#define LMP_COMPUTE_PROPERTY_MOLECULE_H #include "compute.h" @@ -42,3 +48,4 @@ class ComputePropertyMolecule : public Compute { } #endif +#endif diff --git a/src/compute_rdf.h b/src/compute_rdf.h index 60218817a720a8d9935b886275a87ad8b4ba8832..03f74621cbd799473fb6cacbb2b315c91061f46e 100644 --- a/src/compute_rdf.h +++ b/src/compute_rdf.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_RDF_H -#define COMPUTE_RDF_H +#ifdef COMPUTE_CLASS + +ComputeStyle(rdf,ComputeRDF) + +#else + +#ifndef LMP_COMPUTE_RDF_H +#define LMP_COMPUTE_RDF_H #include "stdio.h" #include "compute.h" @@ -47,3 +53,4 @@ class ComputeRDF : public Compute { } #endif +#endif diff --git a/src/compute_reduce.h b/src/compute_reduce.h index f8a74c84fe08d73a67c32efbef3813fd762dfdfd..02f39748e6beb229f7f71807be8258aaf28ec86b 100644 --- a/src/compute_reduce.h +++ b/src/compute_reduce.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_REDUCE_H -#define COMPUTE_REDUCE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(reduce,ComputeReduce) + +#else + +#ifndef LMP_COMPUTE_REDUCE_H +#define LMP_COMPUTE_REDUCE_H #include "compute.h" @@ -53,3 +59,4 @@ class ComputeReduce : public Compute { } #endif +#endif diff --git a/src/compute_reduce_region.h b/src/compute_reduce_region.h index 4241d1d782709cbea9a047f5a37fefa0d1886833..30718ce85b644d610a8febb22b783ab822ebfb61 100644 --- a/src/compute_reduce_region.h +++ b/src/compute_reduce_region.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_REDUCE_REGION_H -#define COMPUTE_REDUCE_REGION_H +#ifdef COMPUTE_CLASS + +ComputeStyle(reduce/region,ComputeReduceRegion) + +#else + +#ifndef LMP_COMPUTE_REDUCE_REGION_H +#define LMP_COMPUTE_REDUCE_REGION_H #include "compute_reduce.h" @@ -31,3 +37,4 @@ class ComputeReduceRegion : public ComputeReduce { } #endif +#endif diff --git a/src/compute_stress_atom.h b/src/compute_stress_atom.h index 98b727bf808a23302cb6ef18520376241c38da54..f988a2803718a4ee17c9e5c42d844894634b9386 100644 --- a/src/compute_stress_atom.h +++ b/src/compute_stress_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_STRESS_ATOM_H -#define COMPUTE_STRESS_ATOM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(stress/atom,ComputeStressAtom) + +#else + +#ifndef LMP_COMPUTE_STRESS_ATOM_H +#define LMP_COMPUTE_STRESS_ATOM_H #include "compute.h" @@ -37,3 +43,4 @@ class ComputeStressAtom : public Compute { } #endif +#endif diff --git a/src/compute_temp.h b/src/compute_temp.h index eeae8479f50ae5152f2ced3e1716bfa4ef3fd8b5..5bbe0ba7f49a4d33a683d0d4e8b3e2268933613b 100644 --- a/src/compute_temp.h +++ b/src/compute_temp.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_TEMP_H -#define COMPUTE_TEMP_H +#ifdef COMPUTE_CLASS + +ComputeStyle(temp,ComputeTemp) + +#else + +#ifndef LMP_COMPUTE_TEMP_H +#define LMP_COMPUTE_TEMP_H #include "compute.h" @@ -36,3 +42,4 @@ class ComputeTemp : public Compute { } #endif +#endif diff --git a/src/compute_temp_com.h b/src/compute_temp_com.h index 3c648758223bb8655a84a7947a69df61216cea4e..65ba19e72ad73c60effc4823ad37fe446ade3e4b 100644 --- a/src/compute_temp_com.h +++ b/src/compute_temp_com.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_TEMP_COM_H -#define COMPUTE_TEMP_COM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(temp/com,ComputeTempCOM) + +#else + +#ifndef LMP_COMPUTE_TEMP_COM_H +#define LMP_COMPUTE_TEMP_COM_H #include "compute.h" @@ -43,3 +49,4 @@ class ComputeTempCOM : public Compute { } #endif +#endif diff --git a/src/compute_temp_deform.h b/src/compute_temp_deform.h index df904dc94ca1f0850d7d26064221b4f95e302e04..0b69b73c8fe3580ea8ec4ae27f4c34c1ffe44ad3 100644 --- a/src/compute_temp_deform.h +++ b/src/compute_temp_deform.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_TEMP_DEFORM_H -#define COMPUTE_TEMP_DEFORM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(temp/deform,ComputeTempDeform) + +#else + +#ifndef LMP_COMPUTE_TEMP_DEFORM_H +#define LMP_COMPUTE_TEMP_DEFORM_H #include "compute.h" @@ -45,3 +51,4 @@ class ComputeTempDeform : public Compute { } #endif +#endif diff --git a/src/compute_temp_partial.h b/src/compute_temp_partial.h index 9d414f222138933b125eefdfa1f0f28a2881d3b6..83bd6de752f2ac5549c344a976d48efb0f4f5bed 100644 --- a/src/compute_temp_partial.h +++ b/src/compute_temp_partial.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_TEMP_PARTIAL_H -#define COMPUTE_TEMP_PARTIAL_H +#ifdef COMPUTE_CLASS + +ComputeStyle(temp/partial,ComputeTempPartial) + +#else + +#ifndef LMP_COMPUTE_TEMP_PARTIAL_H +#define LMP_COMPUTE_TEMP_PARTIAL_H #include "compute.h" @@ -44,3 +50,4 @@ class ComputeTempPartial : public Compute { } #endif +#endif diff --git a/src/compute_temp_profile.h b/src/compute_temp_profile.h index 9194e90c48bf9ca4525c4388f4a5eba0d5f3d60c..7b6fda0b46f800304d809e43219a22f7b94628c4 100644 --- a/src/compute_temp_profile.h +++ b/src/compute_temp_profile.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_TEMP_PROFILE_H -#define COMPUTE_TEMP_PROFILE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(temp/profile,ComputeTempProfile) + +#else + +#ifndef LMP_COMPUTE_TEMP_PROFILE_H +#define LMP_COMPUTE_TEMP_PROFILE_H #include "compute.h" @@ -57,3 +63,4 @@ class ComputeTempProfile : public Compute { } #endif +#endif diff --git a/src/compute_temp_ramp.h b/src/compute_temp_ramp.h index ae1148836a02a6625f52d026e1798cfbc2e38e59..e343cdb6b6ee959bed498e5420b541504b8c22df 100644 --- a/src/compute_temp_ramp.h +++ b/src/compute_temp_ramp.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_TEMP_RAMP_H -#define COMPUTE_TEMP_RAMP_H +#ifdef COMPUTE_CLASS + +ComputeStyle(temp/ramp,ComputeTempRamp) + +#else + +#ifndef LMP_COMPUTE_TEMP_RAMP_H +#define LMP_COMPUTE_TEMP_RAMP_H #include "compute.h" @@ -46,3 +52,4 @@ class ComputeTempRamp : public Compute { } #endif +#endif diff --git a/src/compute_temp_region.h b/src/compute_temp_region.h index 43ac8809973012c6336800a6709109e4df9fe6f8..74b738db8e85e3757f31eaade56f1b738ea1f6f2 100644 --- a/src/compute_temp_region.h +++ b/src/compute_temp_region.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_TEMP_REGION_H -#define COMPUTE_TEMP_REGION_H +#ifdef COMPUTE_CLASS + +ComputeStyle(temp/region,ComputeTempRegion) + +#else + +#ifndef LMP_COMPUTE_TEMP_REGION_H +#define LMP_COMPUTE_TEMP_REGION_H #include "compute.h" @@ -40,3 +46,4 @@ class ComputeTempRegion : public Compute { } #endif +#endif diff --git a/src/compute_temp_sphere.h b/src/compute_temp_sphere.h index c294ddbf7fbe2f5385e1c4e4b13d060fe6f64a6c..86285061bd534a9ca6aa86253e33d455acb1f7aa 100644 --- a/src/compute_temp_sphere.h +++ b/src/compute_temp_sphere.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_TEMP_SPHERE_H -#define COMPUTE_TEMP_SPHERE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(temp/sphere,ComputeTempSphere) + +#else + +#ifndef LMP_COMPUTE_TEMP_SPHERE_H +#define LMP_COMPUTE_TEMP_SPHERE_H #include "compute.h" @@ -42,3 +48,4 @@ class ComputeTempSphere : public Compute { } #endif +#endif diff --git a/src/create_atoms.h b/src/create_atoms.h index db40d1d19c859048e3494a53711e7018d43eae6f..cbe19ef386ac5848aaa6661db38f4a30f96717c7 100644 --- a/src/create_atoms.h +++ b/src/create_atoms.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef CREATE_ATOMS_H -#define CREATE_ATOMS_H +#ifdef COMMAND_CLASS + +CommandStyle(create_atoms,CreateAtoms) + +#else + +#ifndef LMP_CREATE_ATOMS_H +#define LMP_CREATE_ATOMS_H #include "pointers.h" @@ -35,3 +41,4 @@ class CreateAtoms : protected Pointers { } #endif +#endif diff --git a/src/create_box.h b/src/create_box.h index 3c4f85ffbb41c22a0539ba535edabeb7f0956782..fdf12d4c2ea9c740773cb885603a71adc98226ad 100644 --- a/src/create_box.h +++ b/src/create_box.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef CREATE_BOX_H -#define CREATE_BOX_H +#ifdef COMMAND_CLASS + +CommandStyle(create_box,CreateBox) + +#else + +#ifndef LMP_CREATE_BOX_H +#define LMP_CREATE_BOX_H #include "pointers.h" @@ -27,3 +33,4 @@ class CreateBox : protected Pointers { } #endif +#endif diff --git a/src/delete_atoms.h b/src/delete_atoms.h index 2ccaca35f93ad946c828f5185cddad45683e3a70..3ff8f75697fe0deb161225f09db22a161590c3ab 100644 --- a/src/delete_atoms.h +++ b/src/delete_atoms.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DELETE_ATOMS_H -#define DELETE_ATOMS_H +#ifdef COMMAND_CLASS + +CommandStyle(delete_atoms,DeleteAtoms) + +#else + +#ifndef LMP_DELETE_ATOMS_H +#define LMP_DELETE_ATOMS_H #include "pointers.h" @@ -35,3 +41,4 @@ class DeleteAtoms : protected Pointers { } #endif +#endif diff --git a/src/delete_bonds.h b/src/delete_bonds.h index 2f9e5ba391206bb15fc36729dee5aeb953fa457c..925d69b16171ed74aba02490bbea659b5a7617c6 100644 --- a/src/delete_bonds.h +++ b/src/delete_bonds.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DELETE_BONDS_H -#define DELETE_BONDS_H +#ifdef COMMAND_CLASS + +CommandStyle(delete_bonds,DeleteBonds) + +#else + +#ifndef LMP_DELETE_BONDS_H +#define LMP_DELETE_BONDS_H #include "pointers.h" @@ -27,3 +33,4 @@ class DeleteBonds : protected Pointers { } #endif +#endif diff --git a/src/dihedral.h b/src/dihedral.h index c852c6d9cd52651a9f0b399ccb99a5d69aabe86f..15866a8bba1fe9f3cbe214e46d55df680a2128dd 100644 --- a/src/dihedral.h +++ b/src/dihedral.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DIHEDRAL_H -#define DIHEDRAL_H +#ifndef LMP_DIHEDRAL_H +#define LMP_DIHEDRAL_H #include "stdio.h" #include "pointers.h" diff --git a/src/displace_atoms.h b/src/displace_atoms.h index 6ddf79c42866a8f96a993d4f984c0953e5871651..7a3f2bc6b19a87fd6338c976c7e1726f29c4fb46 100644 --- a/src/displace_atoms.h +++ b/src/displace_atoms.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DISPLACE_ATOMS_H -#define DISPLACE_ATOMS_H +#ifdef COMMAND_CLASS + +CommandStyle(displace_atoms,DisplaceAtoms) + +#else + +#ifndef LMP_DISPLACE_ATOMS_H +#define LMP_DISPLACE_ATOMS_H #include "pointers.h" @@ -31,3 +37,4 @@ class DisplaceAtoms : protected Pointers { } #endif +#endif diff --git a/src/displace_box.h b/src/displace_box.h index 1c748514889338b095e76886753e2195adf3952a..a229d32a869e08ef9d94d8e992d062bc06fa914a 100644 --- a/src/displace_box.h +++ b/src/displace_box.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DISPLACE_BOX_H -#define DISPLACE_BOX_H +#ifdef COMMAND_CLASS + +CommandStyle(displace_box,DisplaceBox) + +#else + +#ifndef LMP_DISPLACE_BOX_H +#define LMP_DISPLACE_BOX_H #include "pointers.h" @@ -45,3 +51,4 @@ class DisplaceBox : protected Pointers { } #endif +#endif diff --git a/src/domain.cpp b/src/domain.cpp index 660c53eace3b81c3c97bc2ad72daa3adb4e563b8..cac94415d1cee1d230efb6cadf2a423471541531 100644 --- a/src/domain.cpp +++ b/src/domain.cpp @@ -21,6 +21,7 @@ #include "stdio.h" #include "math.h" #include "domain.h" +#include "style_region.h" #include "atom.h" #include "force.h" #include "update.h" @@ -33,10 +34,6 @@ #include "memory.h" #include "error.h" -#define RegionInclude -#include "style.h" -#undef RegionInclude - using namespace LAMMPS_NS; #define BIG 1.0e20 @@ -887,12 +884,12 @@ void Domain::add_region(int narg, char **arg) if (strcmp(arg[1],"none") == 0) error->all("Invalid region style"); -#define RegionClass +#define REGION_CLASS #define RegionStyle(key,Class) \ else if (strcmp(arg[1],#key) == 0) \ regions[nregion] = new Class(lmp,narg,arg); -#include "style.h" -#undef RegionClass +#include "style_region.h" +#undef REGION_CLASS else error->all("Invalid region style"); diff --git a/src/domain.h b/src/domain.h index fff4f37837467889ed98b5e30a58d41cefdb15a6..5a2b8eae8bf60b0ff16cb30c4f52d31aa522be6d 100644 --- a/src/domain.h +++ b/src/domain.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DOMAIN_H -#define DOMAIN_H +#ifndef LMP_DOMAIN_H +#define LMP_DOMAIN_H #include "pointers.h" diff --git a/src/dump.h b/src/dump.h index a997260ba039a2cb0550f23c9d286a046f1bfeb9..fec33b4d00f179bc03a370ded326251d1c0958e1 100644 --- a/src/dump.h +++ b/src/dump.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DUMP_H -#define DUMP_H +#ifndef LMP_DUMP_H +#define LMP_DUMP_H #include "stdio.h" #include "pointers.h" diff --git a/src/dump_atom.h b/src/dump_atom.h index 56b6188e94d5c492201fb12d3339f7633dc0e22c..3120fca8445b11f9266a3d9d527797a932f48a06 100644 --- a/src/dump_atom.h +++ b/src/dump_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DUMP_ATOM_H -#define DUMP_ATOM_H +#ifdef DUMP_CLASS + +DumpStyle(atom,DumpAtom) + +#else + +#ifndef LMP_DUMP_ATOM_H +#define LMP_DUMP_ATOM_H #include "dump.h" @@ -61,3 +67,4 @@ class DumpAtom : public Dump { } #endif +#endif diff --git a/src/dump_cfg.h b/src/dump_cfg.h index e30d17a352e3c05ba0fab16e85d7c4d3ec2dceac..e2d016a3a2da1e78eaf6a17fa06b10044ddb414c 100755 --- a/src/dump_cfg.h +++ b/src/dump_cfg.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DUMP_CFG_H -#define DUMP_CFG_H +#ifdef DUMP_CLASS + +DumpStyle(cfg,DumpCFG) + +#else + +#ifndef LMP_DUMP_CFG_H +#define LMP_DUMP_CFG_H #include "dump_custom.h" @@ -45,3 +51,4 @@ class DumpCFG : public DumpCustom { } #endif +#endif diff --git a/src/dump_custom.h b/src/dump_custom.h index 7532d9602528fa7aaa83a900f1106cd400a21259..505fa43ac94e588882ad2f126b6e5d24df3be2b2 100644 --- a/src/dump_custom.h +++ b/src/dump_custom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DUMP_CUSTOM_H -#define DUMP_CUSTOM_H +#ifdef DUMP_CLASS + +DumpStyle(custom,DumpCustom) + +#else + +#ifndef LMP_DUMP_CUSTOM_H +#define LMP_DUMP_CUSTOM_H #include "dump.h" @@ -150,3 +156,4 @@ class DumpCustom : public Dump { } #endif +#endif diff --git a/src/dump_dcd.h b/src/dump_dcd.h index 1e1411467f23165dc2d7357d10514813d11906c0..dc734836230544cff69e5f370414b75f342d5028 100644 --- a/src/dump_dcd.h +++ b/src/dump_dcd.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DUMP_DCD_H -#define DUMP_DCD_H +#ifdef DUMP_CLASS + +DumpStyle(dcd,DumpDCD) + +#else + +#ifndef LMP_DUMP_DCD_H +#define LMP_DUMP_DCD_H #include "stdio.h" #include "dump.h" @@ -46,3 +52,4 @@ class DumpDCD : public Dump { } #endif +#endif diff --git a/src/dump_local.h b/src/dump_local.h index 5239abc922283518ebeb6e1ed6fb270accf79acf..43f2201766e88fe6c9acb7b3ed6befc0e38a96b0 100644 --- a/src/dump_local.h +++ b/src/dump_local.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DUMP_LOCAL_H -#define DUMP_LOCAL_H +#ifdef DUMP_CLASS + +DumpStyle(local,DumpLocal) + +#else + +#ifndef LMP_DUMP_LOCAL_H +#define LMP_DUMP_LOCAL_H #include "dump.h" @@ -71,3 +77,4 @@ class DumpLocal : public Dump { } #endif +#endif diff --git a/src/dump_xyz.h b/src/dump_xyz.h index a17e89107c95e5218dfbbe17792d64a4c1ea9d87..dbf4ff96ba095eecd71c9f2b29c178968161f481 100644 --- a/src/dump_xyz.h +++ b/src/dump_xyz.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DUMP_XYZ_H -#define DUMP_XYZ_H +#ifdef DUMP_CLASS + +DumpStyle(xyz,DumpXYZ) + +#else + +#ifndef LMP_DUMP_XYZ_H +#define LMP_DUMP_XYZ_H #include "dump.h" @@ -40,3 +46,4 @@ class DumpXYZ : public Dump { } #endif +#endif diff --git a/src/error.h b/src/error.h index b6c1d53f80739e04df96b1344f4d02be8b5f1ff7..6b279cbf9a35ddc5e2c1a821313dccdde7c21fab 100644 --- a/src/error.h +++ b/src/error.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ERROR_H -#define ERROR_H +#ifndef LMP_ERROR_H +#define LMP_ERROR_H #include "pointers.h" diff --git a/src/finish.h b/src/finish.h index b0e815f4124ff1d5d51e1d7f3bab4ca89b442083..c2f7e8a191d301c675e423255c1afc6649fcbe87 100644 --- a/src/finish.h +++ b/src/finish.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FINISH_H -#define FINISH_H +#ifndef LMP_FINISH_H +#define LMP_FINISH_H #include "pointers.h" diff --git a/src/fix.h b/src/fix.h index 9379d87d40fd55116fadcd070d20ecb321b770bf..a7b909475b37d15c74066a1f427697a7fc2b6183 100644 --- a/src/fix.h +++ b/src/fix.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_H -#define FIX_H +#ifndef LMP_FIX_H +#define LMP_FIX_H #include "pointers.h" diff --git a/src/fix_addforce.h b/src/fix_addforce.h index 163dce634b2433e5e0677c5b55169395d1790e0a..3802a29cb3b5368882798921e6cb894eb6471bad 100644 --- a/src/fix_addforce.h +++ b/src/fix_addforce.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_ADDFORCE_H -#define FIX_ADDFORCE_H +#ifdef FIX_CLASS + +FixStyle(addforce,FixAddForce) + +#else + +#ifndef LMP_FIX_ADDFORCE_H +#define LMP_FIX_ADDFORCE_H #include "fix.h" @@ -42,3 +48,4 @@ class FixAddForce : public Fix { } #endif +#endif diff --git a/src/fix_ave_atom.h b/src/fix_ave_atom.h index 181a85bb03cf8b95a685fa317031b4ca85179965..8c5de51814cde922507e56965e9f1a374223d78e 100644 --- a/src/fix_ave_atom.h +++ b/src/fix_ave_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_AVE_ATOM_H -#define FIX_AVE_ATOM_H +#ifdef FIX_CLASS + +FixStyle(ave/atom,FixAveAtom) + +#else + +#ifndef LMP_FIX_AVE_ATOM_H +#define LMP_FIX_AVE_ATOM_H #include "stdio.h" #include "fix.h" @@ -46,3 +52,4 @@ class FixAveAtom : public Fix { } #endif +#endif diff --git a/src/fix_ave_histo.h b/src/fix_ave_histo.h index 05fb795bc5e944b7b4ff2443ef1cfa02f7cc0c7a..4413718716a3273adec6be2501e2a3cf8909a211 100644 --- a/src/fix_ave_histo.h +++ b/src/fix_ave_histo.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_AVE_HISTO_H -#define FIX_AVE_HISTO_H +#ifdef FIX_CLASS + +FixStyle(ave/histo,FixAveHisto) + +#else + +#ifndef LMP_FIX_AVE_HISTO_H +#define LMP_FIX_AVE_HISTO_H #include "stdio.h" #include "fix.h" @@ -63,3 +69,4 @@ class FixAveHisto : public Fix { } #endif +#endif diff --git a/src/fix_ave_spatial.h b/src/fix_ave_spatial.h index cc11d55d40261cbe3260eeeb001224005da88722..ce873260c817f8ad4f5a8d545244b16707824d4c 100644 --- a/src/fix_ave_spatial.h +++ b/src/fix_ave_spatial.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_AVE_SPATIAL_H -#define FIX_AVE_SPATIAL_H +#ifdef FIX_CLASS + +FixStyle(ave/spatial,FixAveSpatial) + +#else + +#ifndef LMP_FIX_AVE_SPATIAL_H +#define LMP_FIX_AVE_SPATIAL_H #include "stdio.h" #include "fix.h" @@ -65,3 +71,4 @@ class FixAveSpatial : public Fix { } #endif +#endif diff --git a/src/fix_ave_time.h b/src/fix_ave_time.h index 58911f198ca77446840f2ed598bf36b71f5106ee..36cc241a19b2d5d4ed53c0267eb9c6a4122dade2 100644 --- a/src/fix_ave_time.h +++ b/src/fix_ave_time.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_AVE_TIME_H -#define FIX_AVE_TIME_H +#ifdef FIX_CLASS + +FixStyle(ave/time,FixAveTime) + +#else + +#ifndef LMP_FIX_AVE_TIME_H +#define LMP_FIX_AVE_TIME_H #include "stdio.h" #include "fix.h" @@ -60,3 +66,4 @@ class FixAveTime : public Fix { } #endif +#endif diff --git a/src/fix_aveforce.h b/src/fix_aveforce.h index dd88c4ed5479e74ddaae434c512a7096cbb0d07c..e5cba1c0c88d474cd1bac119363260302199e881 100644 --- a/src/fix_aveforce.h +++ b/src/fix_aveforce.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_AVEFORCE_H -#define FIX_AVEFORCE_H +#ifdef FIX_CLASS + +FixStyle(aveforce,FixAveForce) + +#else + +#ifndef LMP_FIX_AVEFORCE_H +#define LMP_FIX_AVEFORCE_H #include "fix.h" @@ -40,3 +46,4 @@ class FixAveForce : public Fix { } #endif +#endif diff --git a/src/fix_box_relax.h b/src/fix_box_relax.h index 591da55af0ae18b2e5b7fd4ab4cc5c77dcb69f00..5ca43c7f1bb87eed51e2c081313d3b0903fc1519 100644 --- a/src/fix_box_relax.h +++ b/src/fix_box_relax.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_BOX_RELAX_H -#define FIX_BOX_RELAX_H +#ifdef FIX_CLASS + +FixStyle(box/relax,FixBoxRelax) + +#else + +#ifndef LMP_FIX_BOX_RELAX_H +#define LMP_FIX_BOX_RELAX_H #include "fix.h" @@ -67,3 +73,4 @@ class FixBoxRelax : public Fix { } #endif +#endif diff --git a/src/fix_deform.h b/src/fix_deform.h index b8e2bea4c484112819d7655bf26764ee63fdf5a8..90eb880f506a702d4db9bc5ad1e7cfe7a935ab0a 100644 --- a/src/fix_deform.h +++ b/src/fix_deform.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_DEFORM_H -#define FIX_DEFORM_H +#ifdef FIX_CLASS + +FixStyle(deform,FixDeform) + +#else + +#ifndef LMP_FIX_DEFORM_H +#define LMP_FIX_DEFORM_H #include "fix.h" @@ -60,3 +66,4 @@ class FixDeform : public Fix { } #endif +#endif diff --git a/src/fix_deposit.h b/src/fix_deposit.h index 211469c9031e74edfc3a42fee0a5a433b5af818d..da8eb14f75ef428e766f97d8fc94de1bafab9f0a 100644 --- a/src/fix_deposit.h +++ b/src/fix_deposit.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_DEPOSIT_H -#define FIX_DEPOSIT_H +#ifdef FIX_CLASS + +FixStyle(deposit,FixDeposit) + +#else + +#ifndef LMP_FIX_DEPOSIT_H +#define LMP_FIX_DEPOSIT_H #include "fix.h" @@ -42,3 +48,4 @@ class FixDeposit : public Fix { } #endif +#endif diff --git a/src/fix_drag.h b/src/fix_drag.h index 6db9ba111441fdb14ed230322dd8b50b681985d3..0e0e07a06f358f90dc7b44f48ab72ce8399aae6b 100644 --- a/src/fix_drag.h +++ b/src/fix_drag.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_DRAG_H -#define FIX_DRAG_H +#ifdef FIX_CLASS + +FixStyle(drag,FixDrag) + +#else + +#ifndef LMP_FIX_DRAG_H +#define LMP_FIX_DRAG_H #include "fix.h" @@ -41,3 +47,4 @@ class FixDrag : public Fix { } #endif +#endif diff --git a/src/fix_dt_reset.h b/src/fix_dt_reset.h index 7fa8ff87aa3980c3f93f3b77493062ec48bb130c..7105dc442b15a29833c76da22cf157cdb16edb23 100644 --- a/src/fix_dt_reset.h +++ b/src/fix_dt_reset.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_DT_RESET_H -#define FIX_DT_RESET_H +#ifdef FIX_CLASS + +FixStyle(dt/reset,FixDtReset) + +#else + +#ifndef LMP_FIX_DT_RESET_H +#define LMP_FIX_DT_RESET_H #include "fix.h" @@ -40,3 +46,4 @@ class FixDtReset : public Fix { } #endif +#endif diff --git a/src/fix_efield.h b/src/fix_efield.h index 3d42822a04067a6edb6f7785426730524b29023f..fdd3dec7df6f29448a80df4e72b6fa35556f6122 100644 --- a/src/fix_efield.h +++ b/src/fix_efield.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_EFIELD_H -#define FIX_EFIELD_H +#ifdef FIX_CLASS + +FixStyle(efield,FixEfield) + +#else + +#ifndef LMP_FIX_EFIELD_H +#define LMP_FIX_EFIELD_H #include "fix.h" @@ -35,3 +41,4 @@ class FixEfield : public Fix { } #endif +#endif diff --git a/src/fix_enforce2d.h b/src/fix_enforce2d.h index f8f2a415c88de5fa43ae04213e73a73a6b7c05d3..cbe9bb303e433da63a971cf09d58de0643d82199 100644 --- a/src/fix_enforce2d.h +++ b/src/fix_enforce2d.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_ENFORCE2D_H -#define FIX_ENFORCE2D_H +#ifdef FIX_CLASS + +FixStyle(enforce2d,FixEnforce2D) + +#else + +#ifndef LMP_FIX_ENFORCE2D_H +#define LMP_FIX_ENFORCE2D_H #include "fix.h" @@ -33,3 +39,4 @@ class FixEnforce2D : public Fix { } #endif +#endif diff --git a/src/fix_evaporate.h b/src/fix_evaporate.h index 8f788eb4fc4e6258a3dfe73873a259366e4f8283..b5272d124bc4bac7f9a957a84f51b7b86a7947cc 100644 --- a/src/fix_evaporate.h +++ b/src/fix_evaporate.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_EVAPORATE_H -#define FIX_EVAPORATE_H +#ifdef FIX_CLASS + +FixStyle(evaporate,FixEvaporate) + +#else + +#ifndef LMP_FIX_EVAPORATE_H +#define LMP_FIX_EVAPORATE_H #include "fix.h" @@ -41,3 +47,4 @@ class FixEvaporate : public Fix { } #endif +#endif diff --git a/src/fix_gravity.h b/src/fix_gravity.h index f10c5e0e4fc3e8a48823ba4ce7c333c5ef8cffa6..248a9ffa1856c6613ab97d6a50d6f5d61544f92d 100644 --- a/src/fix_gravity.h +++ b/src/fix_gravity.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_GRAVITY_H -#define FIX_GRAVITY_H +#ifdef FIX_CLASS + +FixStyle(gravity,FixGravity) + +#else + +#ifndef LMP_FIX_GRAVITY_H +#define LMP_FIX_GRAVITY_H #include "fix.h" @@ -43,3 +49,4 @@ class FixGravity : public Fix { } #endif +#endif diff --git a/src/fix_heat.h b/src/fix_heat.h index fc47c21b4f064b458a2e7f65b64f00d81631daf8..971cbf67eb52155d46e986e350f738422e616634 100644 --- a/src/fix_heat.h +++ b/src/fix_heat.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_HEAT_H -#define FIX_HEAT_H +#ifdef FIX_CLASS + +FixStyle(heat,FixHeat) + +#else + +#ifndef LMP_FIX_HEAT_H +#define LMP_FIX_HEAT_H #include "fix.h" @@ -35,3 +41,4 @@ class FixHeat : public Fix { } #endif +#endif diff --git a/src/fix_indent.h b/src/fix_indent.h index f4579e1ea21abe2af137596f5894f2fb594dc28c..937c8679b29ec0731811d1456b4e6b117af1ff04 100644 --- a/src/fix_indent.h +++ b/src/fix_indent.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_INDENT_H -#define FIX_INDENT_H +#ifdef FIX_CLASS + +FixStyle(indent,FixIndent) + +#else + +#ifndef LMP_FIX_INDENT_H +#define LMP_FIX_INDENT_H #include "fix.h" @@ -48,3 +54,4 @@ class FixIndent : public Fix { } #endif +#endif diff --git a/src/fix_langevin.h b/src/fix_langevin.h index 6f076d9dd98fe046a739636be793b90176e7b82a..3aa17246066ddb3ee114efa23409b4932129eb5f 100644 --- a/src/fix_langevin.h +++ b/src/fix_langevin.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_LANGEVIN_H -#define FIX_LANGEVIN_H +#ifdef FIX_CLASS + +FixStyle(langevin,FixLangevin) + +#else + +#ifndef LMP_FIX_LANGEVIN_H +#define LMP_FIX_LANGEVIN_H #include "fix.h" @@ -56,3 +62,4 @@ class FixLangevin : public Fix { } #endif +#endif diff --git a/src/fix_lineforce.h b/src/fix_lineforce.h index 294cb793b8dfa1f1048a36f5d1785def5969375b..5ad94a01ad1f2476b310f466255181e4a666a979 100644 --- a/src/fix_lineforce.h +++ b/src/fix_lineforce.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_LINEFORCE_H -#define FIX_LINEFORCE_H +#ifdef FIX_CLASS + +FixStyle(lineforce,FixLineForce) + +#else + +#ifndef LMP_FIX_LINEFORCE_H +#define LMP_FIX_LINEFORCE_H #include "fix.h" @@ -35,3 +41,4 @@ class FixLineForce : public Fix { } #endif +#endif diff --git a/src/fix_minimize.h b/src/fix_minimize.h index 1b15aad2bb5cc01a82e28edd72bad37eef6b0f03..80f2854dd7a705b04410451a183ffcf9be162add 100644 --- a/src/fix_minimize.h +++ b/src/fix_minimize.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_MINIMIZE_H -#define FIX_MINIMIZE_H +#ifdef FIX_CLASS + +FixStyle(MINIMIZE,FixMinimize) + +#else + +#ifndef LMP_FIX_MINIMIZE_H +#define LMP_FIX_MINIMIZE_H #include "fix.h" @@ -50,3 +56,4 @@ class FixMinimize : public Fix { } #endif +#endif diff --git a/src/fix_momentum.h b/src/fix_momentum.h index e3b038733757dc53d4c6bdd1144c595be437e49c..0173349c99d27fbfd5bdddb81073b64ca947f9f6 100644 --- a/src/fix_momentum.h +++ b/src/fix_momentum.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_MOMENTUM_H -#define FIX_MOMENTUM_H +#ifdef FIX_CLASS + +FixStyle(momentum,FixMomentum) + +#else + +#ifndef LMP_FIX_MOMENTUM_H +#define LMP_FIX_MOMENTUM_H #include "fix.h" @@ -34,3 +40,4 @@ class FixMomentum : public Fix { } #endif +#endif diff --git a/src/fix_move.h b/src/fix_move.h index 41285f67b7355d2bae8d7801d1935536e3daa00e..9d87916c1946d2b8045d40cda19f0eaf6fa87f86 100644 --- a/src/fix_move.h +++ b/src/fix_move.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_MOVE_H -#define FIX_MOVE_H +#ifdef FIX_CLASS + +FixStyle(move,FixMove) + +#else + +#ifndef LMP_FIX_MOVE_H +#define LMP_FIX_MOVE_H #include "fix.h" @@ -61,3 +67,4 @@ class FixMove : public Fix { } #endif +#endif diff --git a/src/fix_nph.h b/src/fix_nph.h index 8560a6444ee14d393f1d27b654f1f9b18302612c..78dbe043905d5ed937169e390759ebd642387580 100644 --- a/src/fix_nph.h +++ b/src/fix_nph.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NPH_H -#define FIX_NPH_H +#ifdef FIX_CLASS + +FixStyle(nph,FixNPH) + +#else + +#ifndef LMP_FIX_NPH_H +#define LMP_FIX_NPH_H #include "fix.h" @@ -66,3 +72,4 @@ class FixNPH : public Fix { } #endif +#endif diff --git a/src/fix_npt.h b/src/fix_npt.h index 181c3ed3f9cfcecc929cf415b72511786fd63a99..6b0273fbf2d53bc9d9a7db113c0829143591f477 100644 --- a/src/fix_npt.h +++ b/src/fix_npt.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NPT_H -#define FIX_NPT_H +#ifdef FIX_CLASS + +FixStyle(npt,FixNPT) + +#else + +#ifndef LMP_FIX_NPT_H +#define LMP_FIX_NPT_H #include "fix.h" @@ -72,3 +78,4 @@ class FixNPT : public Fix { } #endif +#endif diff --git a/src/fix_npt_sphere.h b/src/fix_npt_sphere.h index e02a45e821a295c4b2489367f7e53a3af5dc35de..383bd970d00ef53ceec345e38af1fcca7399b6e7 100644 --- a/src/fix_npt_sphere.h +++ b/src/fix_npt_sphere.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NPT_SPHERE_H -#define FIX_NPT_SPHERE_H +#ifdef FIX_CLASS + +FixStyle(npt/sphere,FixNPTSphere) + +#else + +#ifndef LMP_FIX_NPT_SPHERE_H +#define LMP_FIX_NPT_SPHERE_H #include "fix_npt.h" @@ -33,3 +39,4 @@ class FixNPTSphere : public FixNPT { } #endif +#endif diff --git a/src/fix_nve.h b/src/fix_nve.h index 35e7b02f69918d51c36e17e234142e90f49416aa..6f8633733feab20a9dd7db1c72f3579a1e212002 100644 --- a/src/fix_nve.h +++ b/src/fix_nve.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NVE_H -#define FIX_NVE_H +#ifdef FIX_CLASS + +FixStyle(nve,FixNVE) + +#else + +#ifndef LMP_FIX_NVE_H +#define LMP_FIX_NVE_H #include "fix.h" @@ -38,3 +44,4 @@ class FixNVE : public Fix { } #endif +#endif diff --git a/src/fix_nve_limit.h b/src/fix_nve_limit.h index 312300a76e760209d6357e343e118a07a39afedf..3b5613fd5d82eaf8519d4e93536ee14f6ed53951 100644 --- a/src/fix_nve_limit.h +++ b/src/fix_nve_limit.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NVE_LIMIT_H -#define FIX_NVE_LIMIT_H +#ifdef FIX_CLASS + +FixStyle(nve/limit,FixNVELimit) + +#else + +#ifndef LMP_FIX_NVE_LIMIT_H +#define LMP_FIX_NVE_LIMIT_H #include "fix.h" @@ -40,3 +46,4 @@ class FixNVELimit : public Fix { } #endif +#endif diff --git a/src/fix_nve_noforce.h b/src/fix_nve_noforce.h index 3bbb0326be6d913fd2898de5f1cbf6c540fcad0f..d56ecd96a1366c1897f22f5ae777a4260f1be135 100644 --- a/src/fix_nve_noforce.h +++ b/src/fix_nve_noforce.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NVE_NOFORCE_H -#define FIX_NVE_NOFORCE_H +#ifdef FIX_CLASS + +FixStyle(nve/noforce,FixNVENoforce) + +#else + +#ifndef LMP_FIX_NVE_NOFORCE_H +#define LMP_FIX_NVE_NOFORCE_H #include "fix.h" @@ -35,3 +41,4 @@ class FixNVENoforce : public Fix { } #endif +#endif diff --git a/src/fix_nve_sphere.h b/src/fix_nve_sphere.h index a97bb9d7b655198e490e1c4754419ed7dff83dd4..1582edc0e1037a1d0a1df7e91f9d0c7ab6c4ced5 100644 --- a/src/fix_nve_sphere.h +++ b/src/fix_nve_sphere.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NVE_SPHERE_H -#define FIX_NVE_SPHERE_H +#ifdef FIX_CLASS + +FixStyle(nve/sphere,FixNVESphere) + +#else + +#ifndef LMP_FIX_NVE_SPHERE_H +#define LMP_FIX_NVE_SPHERE_H #include "fix_nve.h" @@ -34,3 +40,4 @@ class FixNVESphere : public FixNVE { } #endif +#endif diff --git a/src/fix_nvt.h b/src/fix_nvt.h index 079da19cc666d71edc366e0f5f8980fc2bd3884f..95c43126c58c3e7eaf7bb29730dfff377f0049ee 100644 --- a/src/fix_nvt.h +++ b/src/fix_nvt.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NVT_H -#define FIX_NVT_H +#ifdef FIX_CLASS + +FixStyle(nvt,FixNVT) + +#else + +#ifndef LMP_FIX_NVT_H +#define LMP_FIX_NVT_H #include "fix.h" @@ -55,3 +61,4 @@ class FixNVT : public Fix { } #endif +#endif diff --git a/src/fix_nvt_sllod.h b/src/fix_nvt_sllod.h index ba47f77056fd458c4838c9a52c9a0ef458d028c7..2f1813cc077c8c8834743ea1d567a35ae3e3a18f 100644 --- a/src/fix_nvt_sllod.h +++ b/src/fix_nvt_sllod.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NVT_SLODD_H -#define FIX_NVT_SLODD_H +#ifdef FIX_CLASS + +FixStyle(nvt/sllod,FixNVTSlodd) + +#else + +#ifndef LMP_FIX_NVT_SLODD_H +#define LMP_FIX_NVT_SLODD_H #include "fix_nvt.h" @@ -33,3 +39,4 @@ class FixNVTSlodd : public FixNVT { } #endif +#endif diff --git a/src/fix_nvt_sphere.h b/src/fix_nvt_sphere.h index c6b7a774fa00b11bd17a7d31d73b2cd480e9b1a9..67c397641f5b2db1d6e38b6c1c9393f5c867e2bf 100644 --- a/src/fix_nvt_sphere.h +++ b/src/fix_nvt_sphere.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NVT_SPHERE_H -#define FIX_NVT_SPHERE_H +#ifdef FIX_CLASS + +FixStyle(nvt/sphere,FixNVTSphere) + +#else + +#ifndef LMP_FIX_NVT_SPHERE_H +#define LMP_FIX_NVT_SPHERE_H #include "fix_nvt.h" @@ -30,3 +36,4 @@ class FixNVTSphere : public FixNVT { } #endif +#endif diff --git a/src/fix_orient_fcc.h b/src/fix_orient_fcc.h index 2cf39634a9004af08e451d6e2cc19522e42175f5..42f84899269e9fdad0c5ae77a7045c43eab109a4 100644 --- a/src/fix_orient_fcc.h +++ b/src/fix_orient_fcc.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_ORIENT_FCC_H -#define FIX_ORIENT_FCC_H +#ifdef FIX_CLASS + +FixStyle(orient/fcc,FixOrientFCC) + +#else + +#ifndef LMP_FIX_ORIENT_FCC_H +#define LMP_FIX_ORIENT_FCC_H #include "fix.h" @@ -79,3 +85,4 @@ class FixOrientFCC : public Fix { } #endif +#endif diff --git a/src/fix_planeforce.h b/src/fix_planeforce.h index 20ceec17a178f19fba9534cf9527497954a3ff0d..1fc1f306f1994364c03b883f2c339259d6f7865e 100644 --- a/src/fix_planeforce.h +++ b/src/fix_planeforce.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_PLANEFORCE_H -#define FIX_PLANEFORCE_H +#ifdef FIX_CLASS + +FixStyle(planeforce,FixPlaneForce) + +#else + +#ifndef LMP_FIX_PLANEFORCE_H +#define LMP_FIX_PLANEFORCE_H #include "fix.h" @@ -35,3 +41,4 @@ class FixPlaneForce : public Fix { } #endif +#endif diff --git a/src/fix_press_berendsen.h b/src/fix_press_berendsen.h index e772786ab0775a901fffa08e2866e3170b449063..e30c04b7131cff2cf1765a938281a59e97a0d56f 100644 --- a/src/fix_press_berendsen.h +++ b/src/fix_press_berendsen.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_PRESS_BERENDSEN_H -#define FIX_PRESS_BERENDSEN_H +#ifdef FIX_CLASS + +FixStyle(press/berendsen,FixPressBerendsen) + +#else + +#ifndef LMP_FIX_PRESS_BERENDSEN_H +#define LMP_FIX_PRESS_BERENDSEN_H #include "fix.h" @@ -53,3 +59,4 @@ class FixPressBerendsen : public Fix { } #endif +#endif diff --git a/src/fix_print.h b/src/fix_print.h index 6e6597d43f940e0b626ad12245b45e5c27bef6dc..52b4f59a89d5d928da78584c29227ea5228fe24c 100644 --- a/src/fix_print.h +++ b/src/fix_print.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_PRINT_H -#define FIX_PRINT_H +#ifdef FIX_CLASS + +FixStyle(print,FixPrint) + +#else + +#ifndef LMP_FIX_PRINT_H +#define LMP_FIX_PRINT_H #include "stdio.h" #include "fix.h" @@ -35,3 +41,4 @@ class FixPrint : public Fix { } #endif +#endif diff --git a/src/fix_recenter.h b/src/fix_recenter.h index 38641bf90a19d9393e8070245129f88ae61b146b..6e565bf9c90b6f090e95ec74cbed8581b4812f39 100644 --- a/src/fix_recenter.h +++ b/src/fix_recenter.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_RECENTER_H -#define FIX_RECENTER_H +#ifdef FIX_CLASS + +FixStyle(recenter,FixRecenter) + +#else + +#ifndef LMP_FIX_RECENTER_H +#define LMP_FIX_RECENTER_H #include "fix.h" @@ -35,3 +41,4 @@ class FixRecenter : public Fix { } #endif +#endif diff --git a/src/fix_respa.h b/src/fix_respa.h index 4ac4c766e4c00d7e2937693d3b0c921d4d29989e..bdfd7f73cdbb08020eccd18d1734cea8e6ded64e 100644 --- a/src/fix_respa.h +++ b/src/fix_respa.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_RESPA_H -#define FIX_RESPA_H +#ifdef FIX_CLASS + +FixStyle(RESPA,FixRespa) + +#else + +#ifndef LMP_FIX_RESPA_H +#define LMP_FIX_RESPA_H #include "fix.h" @@ -42,3 +48,4 @@ class FixRespa : public Fix { } #endif +#endif diff --git a/src/fix_rigid.h b/src/fix_rigid.h index 209b5df018f7956b19a344299f3bf7cd93c1acaa..ce9e0ed071ffc7da96f6bd2a85e491716ac9cdfd 100644 --- a/src/fix_rigid.h +++ b/src/fix_rigid.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_RIGID_H -#define FIX_RIGID_H +#ifdef FIX_CLASS + +FixStyle(rigid,FixRigid) + +#else + +#ifndef LMP_FIX_RIGID_H +#define LMP_FIX_RIGID_H #include "fix.h" @@ -106,3 +112,4 @@ class FixRigid : public Fix { } #endif +#endif diff --git a/src/fix_set_force.h b/src/fix_set_force.h index 5f0f6d88b7ca66c8a2e4172b5a3f5d1200a0c252..92c60e0d5345544bd09acb621dd9b72e27dfdb17 100644 --- a/src/fix_set_force.h +++ b/src/fix_set_force.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_SET_FORCE_H -#define FIX_SET_FORCE_H +#ifdef FIX_CLASS + +FixStyle(setforce,FixSetForce) + +#else + +#ifndef LMP_FIX_SET_FORCE_H +#define LMP_FIX_SET_FORCE_H #include "fix.h" @@ -41,3 +47,4 @@ class FixSetForce : public Fix { } #endif +#endif diff --git a/src/fix_shake.h b/src/fix_shake.h index 63090b9c610120ed94d96e28039f0f7448836baa..8653cdd5cf0e9b311eaae423c17240e08c04c64b 100644 --- a/src/fix_shake.h +++ b/src/fix_shake.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_SHAKE_H -#define FIX_SHAKE_H +#ifdef FIX_CLASS + +FixStyle(shake,FixShake) + +#else + +#ifndef LMP_FIX_SHAKE_H +#define LMP_FIX_SHAKE_H #include "fix.h" @@ -108,3 +114,4 @@ class FixShake : public Fix { } #endif +#endif diff --git a/src/fix_shear_history.h b/src/fix_shear_history.h index 0bf07e259f61cf9cdfd78025ba97a1c5c1526f9f..b6dffa0a4d4e8d843ed0799c1241e8474ff241b0 100644 --- a/src/fix_shear_history.h +++ b/src/fix_shear_history.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_SHEAR_HISTORY_H -#define FIX_SHEAR_HISTORY_H +#ifdef FIX_CLASS + +FixStyle(SHEAR_HISTORY,FixShearHistory) + +#else + +#ifndef LMP_FIX_SHEAR_HISTORY_H +#define LMP_FIX_SHEAR_HISTORY_H #include "fix.h" @@ -52,3 +58,4 @@ class FixShearHistory : public Fix { } #endif +#endif diff --git a/src/fix_spring.h b/src/fix_spring.h index a5b1f92c2355eb64dd8153e9e8010ff4e7f4faa1..904829536bd39551b7fc24d5b0cbbdfb91b509b7 100644 --- a/src/fix_spring.h +++ b/src/fix_spring.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_SPRING_H -#define FIX_SPRING_H +#ifdef FIX_CLASS + +FixStyle(spring,FixSpring) + +#else + +#ifndef LMP_FIX_SPRING_H +#define LMP_FIX_SPRING_H #include "fix.h" @@ -51,3 +57,4 @@ class FixSpring : public Fix { } #endif +#endif diff --git a/src/fix_spring_rg.h b/src/fix_spring_rg.h index a922a415005a67520f0bdea12cb999f09ff65bc9..ec7b6091625ce6a03b53fe8ba22cc7f35f87a4fc 100644 --- a/src/fix_spring_rg.h +++ b/src/fix_spring_rg.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_SPRING_RG_H -#define FIX_SPRING_RG_H +#ifdef FIX_CLASS + +FixStyle(spring/rg,FixSpringRG) + +#else + +#ifndef LMP_FIX_SPRING_RG_H +#define LMP_FIX_SPRING_RG_H #include "fix.h" @@ -35,3 +41,4 @@ class FixSpringRG : public Fix { } #endif +#endif diff --git a/src/fix_spring_self.h b/src/fix_spring_self.h index 64dd01cf56474c07e267d3b350f217e00961e1c3..87cb35b8734c6d9dea94a5800965c55ac89a302d 100644 --- a/src/fix_spring_self.h +++ b/src/fix_spring_self.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_SPRING_SELF_H -#define FIX_SPRING_SELF_H +#ifdef FIX_CLASS + +FixStyle(spring/self,FixSpringSelf) + +#else + +#ifndef LMP_FIX_SPRING_SELF_H +#define LMP_FIX_SPRING_SELF_H #include "fix.h" @@ -50,3 +56,4 @@ class FixSpringSelf : public Fix { } #endif +#endif diff --git a/src/fix_store_coord.h b/src/fix_store_coord.h index 65e80119d45a39f4ce652e2323038cc0edb87564..536bade42915108d359e3e33922514d5f54c8513 100644 --- a/src/fix_store_coord.h +++ b/src/fix_store_coord.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_STORE_COORD_H -#define FIX_STORE_COORD_H +#ifdef FIX_CLASS + +FixStyle(store/coord,FixStoreCoord) + +#else + +#ifndef LMP_FIX_STORE_COORD_H +#define LMP_FIX_STORE_COORD_H #include "fix.h" @@ -41,3 +47,4 @@ class FixStoreCoord : public Fix { } #endif +#endif diff --git a/src/fix_store_force.h b/src/fix_store_force.h index 030910f72409e7c7e74e0e1dece9391cec4d56e2..fca59f50ce7597506b23549a78ef067a678496e4 100644 --- a/src/fix_store_force.h +++ b/src/fix_store_force.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_STORE_FORCE_H -#define FIX_STORE_FORCE_H +#ifdef FIX_CLASS + +FixStyle(store/force,FixStoreForce) + +#else + +#ifndef LMP_FIX_STORE_FORCE_H +#define LMP_FIX_STORE_FORCE_H #include "fix.h" @@ -40,3 +46,4 @@ class FixStoreForce : public Fix { } #endif +#endif diff --git a/src/fix_temp_berendsen.h b/src/fix_temp_berendsen.h index ff80cc84053e8515bc4bec99b1a0fe4988839235..3e698cc7b8ae71428bc5934104fa8c98fbca2b2d 100644 --- a/src/fix_temp_berendsen.h +++ b/src/fix_temp_berendsen.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_TEMP_BERENDSEN_H -#define FIX_TEMP_BERENDSEN_H +#ifdef FIX_CLASS + +FixStyle(temp/berendsen,FixTempBerendsen) + +#else + +#ifndef LMP_FIX_TEMP_BERENDSEN_H +#define LMP_FIX_TEMP_BERENDSEN_H #include "fix.h" @@ -40,3 +46,4 @@ class FixTempBerendsen : public Fix { } #endif +#endif diff --git a/src/fix_temp_rescale.h b/src/fix_temp_rescale.h index 4f2f0c2a93bf19a34b0b931def6ea8e336595ac6..f710bc7cd161a56ae720c1da9d64686a01a2d51f 100644 --- a/src/fix_temp_rescale.h +++ b/src/fix_temp_rescale.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_TEMP_RESCALE_H -#define FIX_TEMP_RESCALE_H +#ifdef FIX_CLASS + +FixStyle(temp/rescale,FixTempRescale) + +#else + +#ifndef LMP_FIX_TEMP_RESCALE_H +#define LMP_FIX_TEMP_RESCALE_H #include "fix.h" @@ -42,3 +48,4 @@ class FixTempRescale : public Fix { } #endif +#endif diff --git a/src/fix_thermal_conductivity.h b/src/fix_thermal_conductivity.h index 0766924397669f93c8a8269822dc7c9dfa0d3bf0..ed9117ca91e2abef9e6cd7fcac52a834dc8e2ba2 100644 --- a/src/fix_thermal_conductivity.h +++ b/src/fix_thermal_conductivity.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_THERMAL_CONDUCTIVITY_H -#define FIX_THERMAL_CONDUCTIVITY_H +#ifdef FIX_CLASS + +FixStyle(thermal/conductivity,FixThermalConductivity) + +#else + +#ifndef LMP_FIX_THERMAL_CONDUCTIVITY_H +#define LMP_FIX_THERMAL_CONDUCTIVITY_H #include "fix.h" @@ -43,3 +49,4 @@ class FixThermalConductivity : public Fix { } #endif +#endif diff --git a/src/fix_tmd.h b/src/fix_tmd.h index ffa916182a34803a9122d5d70760cd03c14f1ea8..785bae60ca24df9e186b80f80c7f041a1693c032 100644 --- a/src/fix_tmd.h +++ b/src/fix_tmd.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_TMD_H -#define FIX_TMD_H +#ifdef FIX_CLASS + +FixStyle(tmd,FixTMD) + +#else + +#ifndef LMP_FIX_TMD_H +#define LMP_FIX_TMD_H #include "stdio.h" #include "fix.h" @@ -52,3 +58,4 @@ class FixTMD : public Fix { } #endif +#endif diff --git a/src/fix_ttm.h b/src/fix_ttm.h index eedd1cc8553708f457221e34ff9a990d21d57927..f02e3abfeb2c761af00c3d81ced07f825b937f5c 100644 --- a/src/fix_ttm.h +++ b/src/fix_ttm.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_TTM_H -#define FIX_TTM_H +#ifdef FIX_CLASS + +FixStyle(ttm,FixTTM) + +#else + +#ifndef LMP_FIX_TTM_H +#define LMP_FIX_TTM_H #include "fix.h" @@ -67,3 +73,4 @@ class FixTTM : public Fix { } #endif +#endif diff --git a/src/fix_viscosity.h b/src/fix_viscosity.h index 0d34bfb73620183fbe06e41a3d387b9543050fe5..fc62d4b323944f519503b3a14ab67c879337deae 100644 --- a/src/fix_viscosity.h +++ b/src/fix_viscosity.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_VISCOSITY_H -#define FIX_VISCOSITY_H +#ifdef FIX_CLASS + +FixStyle(viscosity,FixViscosity) + +#else + +#ifndef LMP_FIX_VISCOSITY_H +#define LMP_FIX_VISCOSITY_H #include "fix.h" @@ -44,3 +50,4 @@ class FixViscosity : public Fix { } #endif +#endif diff --git a/src/fix_viscous.h b/src/fix_viscous.h index eddf49d73591d45e87333abb480af3bd346bf277..ae1e48983bc2020b232fd475ec4ada9a4c9ad540 100644 --- a/src/fix_viscous.h +++ b/src/fix_viscous.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_VISCOUS_H -#define FIX_VISCOUS_H +#ifdef FIX_CLASS + +FixStyle(viscous,FixViscous) + +#else + +#ifndef LMP_FIX_VISCOUS_H +#define LMP_FIX_VISCOUS_H #include "fix.h" @@ -36,3 +42,4 @@ class FixViscous : public Fix { } #endif +#endif diff --git a/src/fix_wall.h b/src/fix_wall.h index 220a1337100be6b42eecab4c9cda831891432a23..dc7c26963a5378c6c3a28d993a6b6122a2d500e4 100644 --- a/src/fix_wall.h +++ b/src/fix_wall.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_WALL_H -#define FIX_WALL_H +#ifndef LMP_FIX_WALL_H +#define LMP_FIX_WALL_H #include "fix.h" diff --git a/src/fix_wall_harmonic.h b/src/fix_wall_harmonic.h index debfd64bd1bd01578910cdfa43d0d10547c64db4..391a2880e3091e9492d1c8eb1ecc3edb919cbe57 100644 --- a/src/fix_wall_harmonic.h +++ b/src/fix_wall_harmonic.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_WALL_HARMONIC_H -#define FIX_WALL_HARMONIC_H +#ifdef FIX_CLASS + +FixStyle(wall/harmonic,FixWallHarmonic) + +#else + +#ifndef LMP_FIX_WALL_HARMONIC_H +#define LMP_FIX_WALL_HARMONIC_H #include "fix_wall.h" @@ -31,3 +37,4 @@ class FixWallHarmonic : public FixWall { } #endif +#endif diff --git a/src/fix_wall_lj126.h b/src/fix_wall_lj126.h index 2c2ddebacb6ca6857a3e3f8398e7bb09a4cc8699..1a4f17db470855c417f7be092a2c32ff0ff1be80 100644 --- a/src/fix_wall_lj126.h +++ b/src/fix_wall_lj126.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_WALL_LJ126_H -#define FIX_WALL_LJ126_H +#ifdef FIX_CLASS + +FixStyle(wall/lj126,FixWallLJ126) + +#else + +#ifndef LMP_FIX_WALL_LJ126_H +#define LMP_FIX_WALL_LJ126_H #include "fix_wall.h" @@ -30,3 +36,4 @@ class FixWallLJ126 : public FixWall { #endif } +#endif diff --git a/src/fix_wall_lj93.h b/src/fix_wall_lj93.h index 9020731b9b8a3813c24ce513067e48efe999d38b..3a6cd7795795b8adc4c2a442fdea22290e01742b 100644 --- a/src/fix_wall_lj93.h +++ b/src/fix_wall_lj93.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_WALL_LJ93_H -#define FIX_WALL_LJ93_H +#ifdef FIX_CLASS + +FixStyle(wall/lj93,FixWallLJ93) + +#else + +#ifndef LMP_FIX_WALL_LJ93_H +#define LMP_FIX_WALL_LJ93_H #include "fix_wall.h" @@ -31,3 +37,4 @@ class FixWallLJ93 : public FixWall { } #endif +#endif diff --git a/src/fix_wall_reflect.h b/src/fix_wall_reflect.h index e3694cce75813a9864bc8b83fde664f2eabfbc3f..6d0c3cb47d97aa1d68d34b071147d5fbf39bda3e 100644 --- a/src/fix_wall_reflect.h +++ b/src/fix_wall_reflect.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_WALL_REFLECT_H -#define FIX_WALL_REFLECT_H +#ifdef FIX_CLASS + +FixStyle(wall/reflect,FixWallReflect) + +#else + +#ifndef LMP_FIX_WALL_REFLECT_H +#define LMP_FIX_WALL_REFLECT_H #include "fix.h" @@ -32,3 +38,4 @@ class FixWallReflect : public Fix { } #endif +#endif diff --git a/src/fix_wall_region.h b/src/fix_wall_region.h index e79ea7ef7954ae88aab22e75d012d6c8041bc94e..f11d38ee53d95f4dc0379f53389efe3af7bfc8fb 100644 --- a/src/fix_wall_region.h +++ b/src/fix_wall_region.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_WALL_REGION_H -#define FIX_WALL_REGION_H +#ifdef FIX_CLASS + +FixStyle(wall/region,FixWallRegion) + +#else + +#ifndef LMP_FIX_WALL_REGION_H +#define LMP_FIX_WALL_REGION_H #include "fix.h" @@ -52,3 +58,4 @@ class FixWallRegion : public Fix { } #endif +#endif diff --git a/src/force.cpp b/src/force.cpp index 55b311e131944c2f0c278f1ab937b447b0eeac9d..cf6ebc1d542aeab32717a209900fe0d46d8ea568 100644 --- a/src/force.cpp +++ b/src/force.cpp @@ -15,6 +15,12 @@ #include "string.h" #include "ctype.h" #include "force.h" +#include "style_bond.h" +#include "style_angle.h" +#include "style_dihedral.h" +#include "style_improper.h" +#include "style_pair.h" +#include "style_kspace.h" #include "atom.h" #include "comm.h" #include "pair.h" @@ -29,20 +35,6 @@ #include "memory.h" #include "error.h" -#define BondInclude -#define AngleInclude -#define DihedralInclude -#define ImproperInclude -#define PairInclude -#define KSpaceInclude -#include "style.h" -#undef BondInclude -#undef AngleInclude -#undef DihedralInclude -#undef ImproperInclude -#undef PairInclude -#undef KSpaceInclude - using namespace LAMMPS_NS; #define MIN(a,b) ((a) < (b) ? (a) : (b)) @@ -142,11 +134,11 @@ Pair *Force::new_pair(const char *style) { if (strcmp(style,"none") == 0) return NULL; -#define PairClass +#define PAIR_CLASS #define PairStyle(key,Class) \ else if (strcmp(style,#key) == 0) return new Class(lmp); -#include "style.h" -#undef PairClass +#include "style_pair.h" +#undef PAIR_CLASS else error->all("Invalid pair style"); return NULL; @@ -220,11 +212,11 @@ Bond *Force::new_bond(const char *style) { if (strcmp(style,"none") == 0) return NULL; -#define BondClass +#define BOND_CLASS #define BondStyle(key,Class) \ else if (strcmp(style,#key) == 0) return new Class(lmp); -#include "style.h" -#undef BondClass +#include "style_bond.h" +#undef BOND_CLASS else error->all("Invalid bond style"); return NULL; @@ -268,11 +260,11 @@ Angle *Force::new_angle(const char *style) { if (strcmp(style,"none") == 0) return NULL; -#define AngleClass +#define ANGLE_CLASS #define AngleStyle(key,Class) \ else if (strcmp(style,#key) == 0) return new Class(lmp); -#include "style.h" -#undef AngleClass +#include "style_angle.h" +#undef ANGLE_CLASS else error->all("Invalid angle style"); return NULL; @@ -301,11 +293,11 @@ Dihedral *Force::new_dihedral(const char *style) { if (strcmp(style,"none") == 0) return NULL; -#define DihedralClass +#define DIHEDRAL_CLASS #define DihedralStyle(key,Class) \ else if (strcmp(style,#key) == 0) return new Class(lmp); -#include "style.h" -#undef DihedralClass +#include "style_dihedral.h" +#undef DIHEDRAL_CLASS else error->all("Invalid dihedral style"); return NULL; @@ -334,11 +326,11 @@ Improper *Force::new_improper(const char *style) { if (strcmp(style,"none") == 0) return NULL; -#define ImproperClass +#define IMPROPER_CLASS #define ImproperStyle(key,Class) \ else if (strcmp(style,#key) == 0) return new Class(lmp); -#include "style.h" -#undef ImproperClass +#include "style_improper.h" +#undef IMPROPER_CLASS else error->all("Invalid improper style"); return NULL; @@ -355,11 +347,11 @@ void Force::create_kspace(int narg, char **arg) if (strcmp(arg[0],"none") == 0) kspace = NULL; -#define KSpaceClass +#define KSPACE_CLASS #define KSpaceStyle(key,Class) \ else if (strcmp(arg[0],#key) == 0) kspace = new Class(lmp,narg-1,&arg[1]); -#include "style.h" -#undef KSpaceClass +#include "style_kspace.h" +#undef KSPACE_CLASS else error->all("Invalid kspace style"); diff --git a/src/force.h b/src/force.h index dda72c92d7d634af30c6cfae0ee75c50d626e0a6..73c27eba2487ac6c289c76e088af377b4bdffdd1 100644 --- a/src/force.h +++ b/src/force.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FORCE_H -#define FORCE_H +#ifndef LMP_FORCE_H +#define LMP_FORCE_H #include "pointers.h" diff --git a/src/group.h b/src/group.h index 4afe41cf2687f71d1e505c85f3d059d690238b7d..fd824e20c83765252ed60d404e94c4c153aa0a13 100644 --- a/src/group.h +++ b/src/group.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef GROUP_H -#define GROUP_H +#ifndef LMP_GROUP_H +#define LMP_GROUP_H #include "stdio.h" #include "pointers.h" diff --git a/src/improper.h b/src/improper.h index 6039e2ec6535537cb0d929bb50056b552638274d..acc4771e6341734c11d81df5d6b62e28a99ddf7d 100644 --- a/src/improper.h +++ b/src/improper.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef IMPROPER_H -#define IMPROPER_H +#ifndef LMP_IMPROPER_H +#define LMP_IMPROPER_H #include "stdio.h" #include "pointers.h" diff --git a/src/input.cpp b/src/input.cpp index ba582b14fe9a1096fd4fb8be8fc1ef777c4e7dac..ac6da866a5ac64050ecd2b6cbfb6ea552c532517 100644 --- a/src/input.cpp +++ b/src/input.cpp @@ -16,6 +16,7 @@ #include "stdlib.h" #include "string.h" #include "input.h" +#include "style_command.h" #include "universe.h" #include "atom.h" #include "atom_vec.h" @@ -41,10 +42,6 @@ #include "error.h" #include "memory.h" -#define CommandInclude -#include "style.h" -#undef CommandInclude - using namespace LAMMPS_NS; #define MAXLINE 2048 @@ -466,15 +463,15 @@ int Input::execute_command() if (0) return 0; // dummy line to enable else-if macro expansion -#define CommandClass +#define COMMAND_CLASS #define CommandStyle(key,Class) \ else if (strcmp(command,#key) == 0) { \ Class key(lmp); \ key.command(narg,arg); \ return 0; \ } -#include "style.h" -#undef CommandClass +#include "style_command.h" +#undef COMMAND_CLASS // unrecognized command diff --git a/src/input.h b/src/input.h index e87da3804bd35c3969ef9c3e386bfe43bfc283b5..17c96e2128d746031327e0c89c86d60f693f6b8c 100644 --- a/src/input.h +++ b/src/input.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef INPUT_H -#define INPUT_H +#ifndef LMP_INPUT_H +#define LMP_INPUT_H #include "stdio.h" #include "pointers.h" diff --git a/src/integrate.h b/src/integrate.h index 88ede97adcfdccb6640c86642e9b499a27bce381..8c7d948b3755d81779b4c6c90f238a257ca9741c 100644 --- a/src/integrate.h +++ b/src/integrate.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef INTEGRATE_H -#define INTEGRATE_H +#ifndef LMP_INTEGRATE_H +#define LMP_INTEGRATE_H #include "pointers.h" diff --git a/src/kspace.h b/src/kspace.h index f22f7d72fc5149df3a74aa5ce347f54512d3d405..bd117085bf27b46cd35ae1f178140aad059b77e4 100644 --- a/src/kspace.h +++ b/src/kspace.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef KSPACE_H -#define KSPACE_H +#ifndef LMP_KSPACE_H +#define LMP_KSPACE_H #include "pointers.h" diff --git a/src/lammps.h b/src/lammps.h index 11e62f7c2e0b1a0b41911c57b8b6eb054c3e87df..45c6fb77638b59960f22645538338bce9f709556 100644 --- a/src/lammps.h +++ b/src/lammps.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef LAMMPS_H -#define LAMMPS_H +#ifndef LMP_LAMMPS_H +#define LMP_LAMMPS_H #include "mpi.h" #include "stdio.h" diff --git a/src/lattice.h b/src/lattice.h index 5010777790fa2af98c5d79c25569691e4bf93f6d..358206c829b0b51b2b215b861017c980000d8d6a 100644 --- a/src/lattice.h +++ b/src/lattice.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef LATTICE_H -#define LATTICE_H +#ifndef LMP_LATTICE_H +#define LMP_LATTICE_H #include "pointers.h" diff --git a/src/math_extra.h b/src/math_extra.h index 649d4910a76b65dbd1743c7cf6b02f4037b836f2..e907ed78e1f718af3f0374cdb6f8441c3434d036 100755 --- a/src/math_extra.h +++ b/src/math_extra.h @@ -15,8 +15,8 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#ifndef MATH_EXTRA_H -#define MATH_EXTRA_H +#ifndef LMP_MATH_EXTRA_H +#define LMP_MATH_EXTRA_H #include "math.h" #include "stdio.h" diff --git a/src/memory.h b/src/memory.h index 39b79f7060a74def1569856bb8e6ea2b433955ff..dae82682ffbd8567f4e5496ddb1ec02fc8a96008 100644 --- a/src/memory.h +++ b/src/memory.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef MEMORY_H -#define MEMORY_H +#ifndef LMP_MEMORY_H +#define LMP_MEMORY_H #include "pointers.h" diff --git a/src/min.h b/src/min.h index 6091d2c3adb869cbfcb7ccd91c79407a2c472ea6..358880839fa60c8aa677749f79c314832e564a45 100644 --- a/src/min.h +++ b/src/min.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef MIN_H -#define MIN_H +#ifndef LMP_MIN_H +#define LMP_MIN_H #include "pointers.h" diff --git a/src/min_cg.h b/src/min_cg.h index 79a6a109d3d79f37e9e3f4b7a451fc6fcb8cced8..5588e4f3fb19c6705cc4fb46169be1a8bfd68b5f 100644 --- a/src/min_cg.h +++ b/src/min_cg.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef MIN_CG_H -#define MIN_CG_H +#ifdef MINIMIZE_CLASS + +MinimizeStyle(cg,MinCG) + +#else + +#ifndef LMP_MIN_CG_H +#define LMP_MIN_CG_H #include "min_linesearch.h" @@ -27,3 +33,4 @@ class MinCG : public MinLineSearch { } #endif +#endif diff --git a/src/min_hftn.h b/src/min_hftn.h index 3268a924bc6c9249b8deba438a54de76e7662648..4cfaf40247cf0f61c0d3504471e07a1156a1c66c 100644 --- a/src/min_hftn.h +++ b/src/min_hftn.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef MIN_HFTN_H -#define MIN_HFTN_H +#ifdef MINIMIZE_CLASS + +MinimizeStyle(hftn,MinHFTN) + +#else + +#ifndef LMP_MIN_HFTN_H +#define LMP_MIN_HFTN_H #include "min.h" @@ -117,3 +123,4 @@ class MinHFTN : public Min } #endif +#endif diff --git a/src/min_linesearch.h b/src/min_linesearch.h index 938163d40c88d9e3d5b655bb6c5216222ebe1cef..893a9cf47dc2beda59283c13516a99509571b566 100644 --- a/src/min_linesearch.h +++ b/src/min_linesearch.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef MIN_LSRCH_H -#define MIN_LSRCH_H +#ifndef LMP_MIN_LSRCH_H +#define LMP_MIN_LSRCH_H #include "min.h" diff --git a/src/min_sd.h b/src/min_sd.h index 47e1555f7a2df38f023c61397ee703f834af7d8e..75928b191c6f2d32feea287935522e48ed629a49 100644 --- a/src/min_sd.h +++ b/src/min_sd.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef MIN_SD_H -#define MIN_SD_H +#ifdef MINIMIZE_CLASS + +MinimizeStyle(sd,MinSD) + +#else + +#ifndef LMP_MIN_SD_H +#define LMP_MIN_SD_H #include "min_linesearch.h" @@ -27,3 +33,4 @@ class MinSD : public MinLineSearch { } #endif +#endif diff --git a/src/minimize.h b/src/minimize.h index 3f0c86eba85daf7b81f65793a845baedba356572..61f81748f91344f76e8c561cade1e91448ec4eb6 100644 --- a/src/minimize.h +++ b/src/minimize.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef MINIMIZE_H -#define MINIMIZE_H +#ifdef COMMAND_CLASS + +CommandStyle(minimize,Minimize) + +#else + +#ifndef LMP_MINIMIZE_H +#define LMP_MINIMIZE_H #include "pointers.h" @@ -27,3 +33,4 @@ class Minimize : protected Pointers { } #endif +#endif diff --git a/src/modify.cpp b/src/modify.cpp index 8321a7517960f5f2b6c5d157258cde60f0b5226b..2500e335110552080471476753b0f41f931638dc 100644 --- a/src/modify.cpp +++ b/src/modify.cpp @@ -14,6 +14,8 @@ #include "stdio.h" #include "string.h" #include "modify.h" +#include "style_compute.h" +#include "style_fix.h" #include "atom.h" #include "comm.h" #include "fix.h" @@ -24,12 +26,6 @@ #include "memory.h" #include "error.h" -#define ComputeInclude -#define FixInclude -#include "style.h" -#undef ComputeInclude -#undef FixInclude - using namespace LAMMPS_NS; #define DELTA 4 @@ -562,11 +558,11 @@ void Modify::add_fix(int narg, char **arg) if (0) return; // dummy line to enable else-if macro expansion -#define FixClass +#define FIX_CLASS #define FixStyle(key,Class) \ else if (strcmp(arg[2],#key) == 0) fix[ifix] = new Class(lmp,narg,arg); -#include "style.h" -#undef FixClass +#include "style_fix.h" +#undef FIX_CLASS else error->all("Invalid fix style"); @@ -686,11 +682,12 @@ void Modify::add_compute(int narg, char **arg) if (0) return; // dummy line to enable else-if macro expansion -#define ComputeClass +#define COMPUTE_CLASS #define ComputeStyle(key,Class) \ else if (strcmp(arg[2],#key) == 0) \ compute[ncompute] = new Class(lmp,narg,arg); -#include "style.h" +#include "style_compute.h" +#undef COMPUTE_CLASS else error->all("Invalid compute style"); diff --git a/src/modify.h b/src/modify.h index d71d223ccd1d8b8ad295c12d17e94cc023b77920..07d53116e9ce22d7374efaab07a46a18821e5774 100644 --- a/src/modify.h +++ b/src/modify.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef MODIFY_H -#define MODIFY_H +#ifndef LMP_MODIFY_H +#define LMP_MODIFY_H #include "stdio.h" #include "pointers.h" diff --git a/src/neigh_list.h b/src/neigh_list.h index ec3de5ba139918ebc41a9d4cac1c758682df9671..67ef125dc7ebf0471f654a8cd7ec3f2007d5524e 100644 --- a/src/neigh_list.h +++ b/src/neigh_list.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef NEIGH_LIST_H -#define NEIGH_LIST_H +#ifndef LMP_NEIGH_LIST_H +#define LMP_NEIGH_LIST_H #include "pointers.h" diff --git a/src/neigh_request.h b/src/neigh_request.h index 4c9abf827675047f30788d65679af0ebc5f4ee3a..2efc042c6ec28a022cffc0d0d92424f456e988ed 100644 --- a/src/neigh_request.h +++ b/src/neigh_request.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef NEIGH_REQUEST_H -#define NEIGH_REQUEST_H +#ifndef LMP_NEIGH_REQUEST_H +#define LMP_NEIGH_REQUEST_H #include "pointers.h" diff --git a/src/neighbor.h b/src/neighbor.h index ecb567690a314dfb71579d29ac0f8d80436b50ec..5f5951fc370e7b1cea49bd32744cc5b518b1d04c 100644 --- a/src/neighbor.h +++ b/src/neighbor.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef NEIGHBOR_H -#define NEIGHBOR_H +#ifndef LMP_NEIGHBOR_H +#define LMP_NEIGHBOR_H #include "pointers.h" diff --git a/src/output.cpp b/src/output.cpp index 5cf381dcd225ddc6ba6a345d3748e78bc2d2d9b9..6ed58fa032b4afa5acd2f94455730811e129fb71 100644 --- a/src/output.cpp +++ b/src/output.cpp @@ -15,6 +15,7 @@ #include "stdlib.h" #include "string.h" #include "output.h" +#include "style_dump.h" #include "atom.h" #include "neighbor.h" #include "comm.h" @@ -30,10 +31,6 @@ #include "memory.h" #include "error.h" -#define DumpInclude -#include "style.h" -#undef DumpInclude - using namespace LAMMPS_NS; #define DELTA 1 @@ -325,11 +322,11 @@ void Output::add_dump(int narg, char **arg) if (0) return; // dummy line to enable else-if macro expansion -#define DumpClass +#define DUMP_CLASS #define DumpStyle(key,Class) \ else if (strcmp(arg[2],#key) == 0) dump[ndump] = new Class(lmp,narg,arg); -#include "style.h" -#undef DumpClass +#include "style_dump.h" +#undef DUMP_CLASS else error->all("Invalid dump style"); diff --git a/src/output.h b/src/output.h index 2dedbf634e70643d4a6fd996f578aa04c12d91b3..18db730db90b066c21e7909c14e62f8785e794fd 100644 --- a/src/output.h +++ b/src/output.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef OUTPUT_H -#define OUTPUT_H +#ifndef LMP_OUTPUT_H +#define LMP_OUTPUT_H #include "pointers.h" diff --git a/src/pair.h b/src/pair.h index 653e57119fae2813603b781a45842253158e5086..8bb36b13c851fb282d410e28608da04ce2986a6c 100644 --- a/src/pair.h +++ b/src/pair.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_H -#define PAIR_H +#ifndef LMP_PAIR_H +#define LMP_PAIR_H #include "pointers.h" diff --git a/src/pair_buck.h b/src/pair_buck.h index 9f723820f39151e14f146b2d34799563a917a0eb..21ba0563f98a50bb5003af05106b0cf786a73e49 100644 --- a/src/pair_buck.h +++ b/src/pair_buck.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_BUCK_H -#define PAIR_BUCK_H +#ifdef PAIR_CLASS + +PairStyle(buck,PairBuck) + +#else + +#ifndef LMP_PAIR_BUCK_H +#define LMP_PAIR_BUCK_H #include "pair.h" @@ -44,3 +50,4 @@ class PairBuck : public Pair { } #endif +#endif diff --git a/src/pair_buck_coul_cut.h b/src/pair_buck_coul_cut.h index 58d1f7068a7f821604caa5340c2fc52d46099263..dcf7a5c4e934f93905709a300e18db620ce15a31 100644 --- a/src/pair_buck_coul_cut.h +++ b/src/pair_buck_coul_cut.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_BUCK_COUL_CUT_H -#define PAIR_BUCK_COUL_CUT_H +#ifdef PAIR_CLASS + +PairStyle(buck/coul/cut,PairBuckCoulCut) + +#else + +#ifndef LMP_PAIR_BUCK_COUL_CUT_H +#define LMP_PAIR_BUCK_COUL_CUT_H #include "pair.h" @@ -46,3 +52,4 @@ class PairBuckCoulCut : public Pair { } #endif +#endif diff --git a/src/pair_coul_cut.h b/src/pair_coul_cut.h index 249488e91fc29b38591ef7efe06055c967ce368d..26854d45aac22d38854b6f96fea659d077ec9cb5 100644 --- a/src/pair_coul_cut.h +++ b/src/pair_coul_cut.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_COUL_CUT_H -#define PAIR_COUL_CUT_H +#ifdef PAIR_CLASS + +PairStyle(coul/cut,PairCoulCut) + +#else + +#ifndef LMP_PAIR_COUL_CUT_H +#define LMP_PAIR_COUL_CUT_H #include "pair.h" @@ -43,3 +49,4 @@ class PairCoulCut : public Pair { } #endif +#endif diff --git a/src/pair_coul_debye.h b/src/pair_coul_debye.h index 7a1a8d5c17f0e004a13cce3843c96a7782114139..38e50af2f6973a2fbce379f914d3c6079eae49ef 100644 --- a/src/pair_coul_debye.h +++ b/src/pair_coul_debye.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_COUL_DEBYE_H -#define PAIR_COUL_DEBYE_H +#ifdef PAIR_CLASS + +PairStyle(coul/debye,PairCoulDebye) + +#else + +#ifndef LMP_PAIR_COUL_DEBYE_H +#define LMP_PAIR_COUL_DEBYE_H #include "pair_coul_cut.h" @@ -34,3 +40,4 @@ class PairCoulDebye : public PairCoulCut { } #endif +#endif diff --git a/src/pair_dpd.h b/src/pair_dpd.h index af3d64ffae6fd53dffd1f1c0e2d55d936bbe2659..2237ae6fdd07b9f2d8d3eca2cd69c0dc58b466f2 100644 --- a/src/pair_dpd.h +++ b/src/pair_dpd.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_DPD_H -#define PAIR_DPD_H +#ifdef PAIR_CLASS + +PairStyle(dpd,PairDPD) + +#else + +#ifndef LMP_PAIR_DPD_H +#define LMP_PAIR_DPD_H #include "pair.h" @@ -47,3 +53,4 @@ class PairDPD : public Pair { } #endif +#endif diff --git a/src/pair_hybrid.h b/src/pair_hybrid.h index 68b1ea35d1e51437fae630488c5211b27e8e8aea..6b66ccd5ec14fcbdd64db718d78cba43d52af3a3 100644 --- a/src/pair_hybrid.h +++ b/src/pair_hybrid.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_HYBRID_H -#define PAIR_HYBRID_H +#ifdef PAIR_CLASS + +PairStyle(hybrid,PairHybrid) + +#else + +#ifndef LMP_PAIR_HYBRID_H +#define LMP_PAIR_HYBRID_H #include "stdio.h" #include "pair.h" @@ -55,3 +61,4 @@ class PairHybrid : public Pair { } #endif +#endif diff --git a/src/pair_hybrid_overlay.h b/src/pair_hybrid_overlay.h index 4603f47bc5f19772cb170233d9e01c51cecf4e0c..770e0e066ccb6c16b333f0632e3d75827158bd9c 100644 --- a/src/pair_hybrid_overlay.h +++ b/src/pair_hybrid_overlay.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_HYBRID_OVERLAY_H -#define PAIR_HYBRID_OVERLAY_H +#ifdef PAIR_CLASS + +PairStyle(hybrid/overlay,PairHybridOverlay) + +#else + +#ifndef LMP_PAIR_HYBRID_OVERLAY_H +#define LMP_PAIR_HYBRID_OVERLAY_H #include "pair_hybrid.h" @@ -30,3 +36,4 @@ class PairHybridOverlay : public PairHybrid { } #endif +#endif diff --git a/src/pair_lj96_cut.h b/src/pair_lj96_cut.h index a92e1b4dba5d68f693e2274ea38dae8d5970d616..0d65d8d0b2b648f897ad387a73663bf632c53ae6 100644 --- a/src/pair_lj96_cut.h +++ b/src/pair_lj96_cut.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ96_CUT_H -#define PAIR_LJ96_CUT_H +#ifdef PAIR_CLASS + +PairStyle(lj96/cut,PairLJ96Cut) + +#else + +#ifndef LMP_PAIR_LJ96_CUT_H +#define LMP_PAIR_LJ96_CUT_H #include "pair.h" @@ -51,3 +57,4 @@ class PairLJ96Cut : public Pair { } #endif +#endif diff --git a/src/pair_lj_cut.h b/src/pair_lj_cut.h index c7ebc448f20c847482d006497735d7dd8d6983f6..b26aa5f5d474a8abb03b861ad641c1469816e95a 100644 --- a/src/pair_lj_cut.h +++ b/src/pair_lj_cut.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_CUT_H -#define PAIR_LJ_CUT_H +#ifdef PAIR_CLASS + +PairStyle(lj/cut,PairLJCut) + +#else + +#ifndef LMP_PAIR_LJ_CUT_H +#define LMP_PAIR_LJ_CUT_H #include "pair.h" @@ -51,3 +57,4 @@ class PairLJCut : public Pair { } #endif +#endif diff --git a/src/pair_lj_cut_coul_cut.h b/src/pair_lj_cut_coul_cut.h index 92f0da1bc58c7fee541794bcdd961d3e242e14d2..0302f2d21b6e6b323ed3d36a0287fa3e54c9a777 100644 --- a/src/pair_lj_cut_coul_cut.h +++ b/src/pair_lj_cut_coul_cut.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_CUT_COUL_CUT_H -#define PAIR_LJ_CUT_COUL_CUT_H +#ifdef PAIR_CLASS + +PairStyle(lj/cut/coul/cut,PairLJCutCoulCut) + +#else + +#ifndef LMP_PAIR_LJ_CUT_COUL_CUT_H +#define LMP_PAIR_LJ_CUT_COUL_CUT_H #include "pair.h" @@ -46,3 +52,4 @@ class PairLJCutCoulCut : public Pair { } #endif +#endif diff --git a/src/pair_lj_cut_coul_debye.h b/src/pair_lj_cut_coul_debye.h index 00962b249591c78c44fe662879d6d110e4c4fc31..f112e5df7e3066a2a70560323439152abdb33b2e 100644 --- a/src/pair_lj_cut_coul_debye.h +++ b/src/pair_lj_cut_coul_debye.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_CUT_COUL_DEBYE_H -#define PAIR_LJ_CUT_COUL_DEBYE_H +#ifdef PAIR_CLASS + +PairStyle(lj/cut/coul/debye,PairLJCutCoulDebye) + +#else + +#ifndef LMP_PAIR_LJ_CUT_COUL_DEBYE_H +#define LMP_PAIR_LJ_CUT_COUL_DEBYE_H #include "pair_lj_cut_coul_cut.h" @@ -34,3 +40,4 @@ class PairLJCutCoulDebye : public PairLJCutCoulCut { } #endif +#endif diff --git a/src/pair_lj_expand.h b/src/pair_lj_expand.h index 65cf6186b38c58e8197681be9082fb8cee4fbf51..fa6b136c6794dc0ce2dd8fa59968c823ffdae823 100644 --- a/src/pair_lj_expand.h +++ b/src/pair_lj_expand.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_EXPAND_H -#define PAIR_LJ_EXPAND_H +#ifdef PAIR_CLASS + +PairStyle(lj/expand,PairLJExpand) + +#else + +#ifndef LMP_PAIR_LJ_EXPAND_H +#define LMP_PAIR_LJ_EXPAND_H #include "pair.h" @@ -44,3 +50,4 @@ class PairLJExpand : public Pair { } #endif +#endif diff --git a/src/pair_lj_gromacs.h b/src/pair_lj_gromacs.h index aad55f1e13eaf68618ef576109ef0d2074269b00..c6a7b5976f1f41b31adc1a890bc4dc1e6c01f34e 100644 --- a/src/pair_lj_gromacs.h +++ b/src/pair_lj_gromacs.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_GROMACS_H -#define PAIR_LJ_GROMACS_H +#ifdef PAIR_CLASS + +PairStyle(lj/gromacs,PairLJGromacs) + +#else + +#ifndef LMP_PAIR_LJ_GROMACS_H +#define LMP_PAIR_LJ_GROMACS_H #include "pair.h" @@ -45,3 +51,4 @@ class PairLJGromacs : public Pair { } #endif +#endif diff --git a/src/pair_lj_gromacs_coul_gromacs.h b/src/pair_lj_gromacs_coul_gromacs.h index c7aafd7c4949635a147af396c38b722f7a138f7c..5f41a456aab0ce5e2fe921ae0ba954e985f9edcc 100644 --- a/src/pair_lj_gromacs_coul_gromacs.h +++ b/src/pair_lj_gromacs_coul_gromacs.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_GROMACS_COUL_GROMACS_H -#define PAIR_LJ_GROMACS_COUL_GROMACS_H +#ifdef PAIR_CLASS + +PairStyle(lj/gromacs/coul/gromacs,PairLJGromacsCoulGromacs) + +#else + +#ifndef LMP_PAIR_LJ_GROMACS_COUL_GROMACS_H +#define LMP_PAIR_LJ_GROMACS_COUL_GROMACS_H #include "pair.h" @@ -47,3 +53,4 @@ class PairLJGromacsCoulGromacs : public Pair { } #endif +#endif diff --git a/src/pair_lj_smooth.h b/src/pair_lj_smooth.h index 641f5b2a445b33a259dff788da210fb35ad4fed1..1e0faf9c837252149abf702df091430570c64081 100644 --- a/src/pair_lj_smooth.h +++ b/src/pair_lj_smooth.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_SMOOTH_H -#define PAIR_LJ_SMOOTH_H +#ifdef PAIR_CLASS + +PairStyle(lj/smooth,PairLJSmooth) + +#else + +#ifndef LMP_PAIR_LJ_SMOOTH_H +#define LMP_PAIR_LJ_SMOOTH_H #include "pair.h" @@ -46,3 +52,4 @@ class PairLJSmooth : public Pair { } #endif +#endif diff --git a/src/pair_morse.h b/src/pair_morse.h index 1f4f96b57384f7b8581afe7291a0fd6731416154..aca12aecc39606c748b96cec2cc333ee6f59ec7e 100644 --- a/src/pair_morse.h +++ b/src/pair_morse.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_MORSE_H -#define PAIR_MORSE_H +#ifdef PAIR_CLASS + +PairStyle(morse,PairMorse) + +#else + +#ifndef LMP_PAIR_MORSE_H +#define LMP_PAIR_MORSE_H #include "pair.h" @@ -45,3 +51,4 @@ class PairMorse : public Pair { } #endif +#endif diff --git a/src/pair_soft.h b/src/pair_soft.h index f4996864c189e47ff9cad7e5149d5b36c7549dd8..026c351f6403be0d554455d4002ceddadbbd4a99 100644 --- a/src/pair_soft.h +++ b/src/pair_soft.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_SOFT_H -#define PAIR_SOFT_H +#ifdef PAIR_CLASS + +PairStyle(soft,PairSoft) + +#else + +#ifndef LMP_PAIR_SOFT_H +#define LMP_PAIR_SOFT_H #include "pair.h" @@ -47,3 +53,4 @@ class PairSoft : public Pair { } #endif +#endif diff --git a/src/pair_table.h b/src/pair_table.h index 9b1b9bf7707c0654ddc02d56063f2ab198d3d100..d56c1b8d407054f3c164bdcbce630f338f0e263d 100644 --- a/src/pair_table.h +++ b/src/pair_table.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_TABLE_H -#define PAIR_TABLE_H +#ifdef PAIR_CLASS + +PairStyle(table,PairTable) + +#else + +#ifndef LMP_PAIR_TABLE_H +#define LMP_PAIR_TABLE_H #include "pair.h" @@ -64,3 +70,4 @@ class PairTable : public Pair { } #endif +#endif diff --git a/src/pair_yukawa.h b/src/pair_yukawa.h index 2d812752122b4fba65548ca6afef6a0734c549e0..9d1671b734db18990d44e51910b31423133340bb 100644 --- a/src/pair_yukawa.h +++ b/src/pair_yukawa.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_YUKAWA_H -#define PAIR_YUKAWA_H +#ifdef PAIR_CLASS + +PairStyle(yukawa,PairYukawa) + +#else + +#ifndef LMP_PAIR_YUKAWA_H +#define LMP_PAIR_YUKAWA_H #include "pair.h" @@ -43,3 +49,4 @@ class PairYukawa : public Pair { } #endif +#endif diff --git a/src/pointers.h b/src/pointers.h index 4d479f4433dc6310efe1715f0c3ece018b94a64c..1824a3f0b94076a61233bdf6f040a361fd34791b 100644 --- a/src/pointers.h +++ b/src/pointers.h @@ -18,8 +18,8 @@ // *& variables are really pointers to the pointers in lammps.h // & enables them to be accessed directly in any class, e.g. error->all() -#ifndef POINTERS_H -#define POINTERS_H +#ifndef LMP_POINTERS_H +#define LMP_POINTERS_H #include "mpi.h" #include "lammps.h" diff --git a/src/random_mars.h b/src/random_mars.h index fd93ad6aba698c8d3a0bfe1a7dffc08876b28c82..19bf3df83c48b9aac7e32e0196287c26cd9d7142 100644 --- a/src/random_mars.h +++ b/src/random_mars.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef RANMARS_H -#define RANMARS_H +#ifndef LMP_RANMARS_H +#define LMP_RANMARS_H #include "pointers.h" diff --git a/src/random_park.h b/src/random_park.h index 290a61194dbd6527a0532049176cbe1e89b6b93f..3119ae995a2ce34a45104d89950ffb6ea6b31b33 100644 --- a/src/random_park.h +++ b/src/random_park.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef RANPARK_H -#define RANPARK_H +#ifndef LMP_RANPARK_H +#define LMP_RANPARK_H #include "pointers.h" diff --git a/src/read_data.h b/src/read_data.h index 50144694a38196a269fff322895025f4e914f65e..f0f85792e1b859979da11a8c5a31831c9bc9bc53 100644 --- a/src/read_data.h +++ b/src/read_data.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef READ_DATA_H -#define READ_DATA_H +#ifdef COMMAND_CLASS + +CommandStyle(read_data,ReadData) + +#else + +#ifndef LMP_READ_DATA_H +#define LMP_READ_DATA_H #include "stdio.h" #include "pointers.h" @@ -61,3 +67,4 @@ class ReadData : protected Pointers { } #endif +#endif diff --git a/src/read_restart.h b/src/read_restart.h index e45af62530dc12715e8f9aaa33128b76bb5a0328..2db6421d955682b8be6f7629baa8db922c244a21 100644 --- a/src/read_restart.h +++ b/src/read_restart.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef READ_RESTART_H -#define READ_RESTART_H +#ifdef COMMAND_CLASS + +CommandStyle(read_restart,ReadRestart) + +#else + +#ifndef LMP_READ_RESTART_H +#define LMP_READ_RESTART_H #include "stdio.h" #include "pointers.h" @@ -42,3 +48,4 @@ class ReadRestart : protected Pointers { } #endif +#endif diff --git a/src/region.h b/src/region.h index 5e20edaa95db9436513a128eb9db8bc8694c360b..4fdb8011ba751b11c3fbaf3171e98730a99df5ff 100644 --- a/src/region.h +++ b/src/region.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef REGION_H -#define REGION_H +#ifndef LMP_REGION_H +#define LMP_REGION_H #include "pointers.h" diff --git a/src/region_block.h b/src/region_block.h index 1cd05ae00bfe6540ff6e372fa21a8edaa3ea61e4..82a3e93c93405e9cdeada53881580c1a50bad524 100644 --- a/src/region_block.h +++ b/src/region_block.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef REGION_BLOCK_H -#define REGION_BLOCK_H +#ifdef REGION_CLASS + +RegionStyle(block,RegBlock) + +#else + +#ifndef LMP_REGION_BLOCK_H +#define LMP_REGION_BLOCK_H #include "region.h" @@ -35,3 +41,4 @@ class RegBlock : public Region { } #endif +#endif diff --git a/src/region_cone.h b/src/region_cone.h index bd15eb3eb82e4509d77348e74fa2703f0fc47ec6..96121ec034b9a955e145ead820d7eff609acf524 100644 --- a/src/region_cone.h +++ b/src/region_cone.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef REGION_CONE_H -#define REGION_CONE_H +#ifdef REGION_CLASS + +RegionStyle(cone,RegCone) + +#else + +#ifndef LMP_REGION_CONE_H +#define LMP_REGION_CONE_H #include "region.h" @@ -43,3 +49,4 @@ class RegCone : public Region { } #endif +#endif diff --git a/src/region_cylinder.h b/src/region_cylinder.h index 5d033b077d5d7a6c7df555953b79212118cc296a..60de581654fa15353cf56db1d6048eb2a65b849f 100644 --- a/src/region_cylinder.h +++ b/src/region_cylinder.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef REGION_CYLINDER_H -#define REGION_CYLINDER_H +#ifdef REGION_CLASS + +RegionStyle(cylinder,RegCylinder) + +#else + +#ifndef LMP_REGION_CYLINDER_H +#define LMP_REGION_CYLINDER_H #include "region.h" @@ -38,3 +44,4 @@ class RegCylinder : public Region { } #endif +#endif diff --git a/src/region_intersect.h b/src/region_intersect.h index a14a732a1370a439f7f28f1ff116383c4dad2c82..af16601bf60f410d9fe8a2d0deadfc6f06c6b9cd 100644 --- a/src/region_intersect.h +++ b/src/region_intersect.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef REGION_INTERSECT_H -#define REGION_INTERSECT_H +#ifdef REGION_CLASS + +RegionStyle(intersect,RegIntersect) + +#else + +#ifndef LMP_REGION_INTERSECT_H +#define LMP_REGION_INTERSECT_H #include "region.h" @@ -35,3 +41,4 @@ class RegIntersect : public Region { } #endif +#endif diff --git a/src/region_plane.h b/src/region_plane.h index 0cea92805837de17ce7bdb5c8445187a580c4f76..9dadd93071894d1c27ea2eec854b65856c0e51d0 100644 --- a/src/region_plane.h +++ b/src/region_plane.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef REGION_PLANE_H -#define REGION_PLANE_H +#ifdef REGION_CLASS + +RegionStyle(plane,RegPlane) + +#else + +#ifndef LMP_REGION_PLANE_H +#define LMP_REGION_PLANE_H #include "region.h" @@ -34,3 +40,4 @@ class RegPlane : public Region { } #endif +#endif diff --git a/src/region_prism.h b/src/region_prism.h index 9b9229c88a6adc42435f874bc5444e10072a4743..fc3caf54b72817a7c06fef877bef553a3ccdb6bc 100644 --- a/src/region_prism.h +++ b/src/region_prism.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef REGION_PRISM_H -#define REGION_PRISM_H +#ifdef REGION_CLASS + +RegionStyle(prism,RegPrism) + +#else + +#ifndef LMP_REGION_PRISM_H +#define LMP_REGION_PRISM_H #include "region.h" @@ -53,3 +59,4 @@ class RegPrism : public Region { } #endif +#endif diff --git a/src/region_sphere.h b/src/region_sphere.h index 2d06f124032390ce40577a8a7e971e0e3e787b8e..46c990b7d126f40a0f28c0c34c828b2d2f42a27a 100644 --- a/src/region_sphere.h +++ b/src/region_sphere.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef REGION_SPHERE_H -#define REGION_SPHERE_H +#ifdef REGION_CLASS + +RegionStyle(sphere,RegSphere) + +#else + +#ifndef LMP_REGION_SPHERE_H +#define LMP_REGION_SPHERE_H #include "region.h" @@ -34,3 +40,4 @@ class RegSphere : public Region { } #endif +#endif diff --git a/src/region_union.h b/src/region_union.h index 534d916873d7eec4f032c39fda23557d52ee76ea..8e09d638a314d387272bbe50b8036db0d56ef65e 100644 --- a/src/region_union.h +++ b/src/region_union.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef REGION_UNION_H -#define REGION_UNION_H +#ifdef REGION_CLASS + +RegionStyle(union,RegUnion) + +#else + +#ifndef LMP_REGION_UNION_H +#define LMP_REGION_UNION_H #include "region.h" @@ -35,3 +41,4 @@ class RegUnion : public Region { } #endif +#endif diff --git a/src/replicate.h b/src/replicate.h index ced23ef514f1960eeafaa599ff23e5b0e74dd278..db20f06e34b6ba098526a59397e6e089113ab482 100644 --- a/src/replicate.h +++ b/src/replicate.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef REPLICATE_H -#define REPLICATE_H +#ifdef COMMAND_CLASS + +CommandStyle(replicate,Replicate) + +#else + +#ifndef LMP_REPLICATE_H +#define LMP_REPLICATE_H #include "pointers.h" @@ -27,3 +33,4 @@ class Replicate : protected Pointers { } #endif +#endif diff --git a/src/respa.h b/src/respa.h index 07bc2f47cb7b4faf5faa71fec436780523485a21..0e13493331cdc9b21ad5ff7b3d191ecc4648ef9b 100644 --- a/src/respa.h +++ b/src/respa.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef RESPA_H -#define RESPA_H +#ifdef INTEGRATE_CLASS + +IntegrateStyle(respa,Respa) + +#else + +#ifndef LMP_RESPA_H +#define LMP_RESPA_H #include "integrate.h" @@ -59,3 +65,4 @@ class Respa : public Integrate { } #endif +#endif diff --git a/src/run.h b/src/run.h index 09816f4fa39ee424279b21a44b59bac4c11da358..e42f3b1277486bfd5731a0dc49633b7795945143 100644 --- a/src/run.h +++ b/src/run.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef RUN_H -#define RUN_H +#ifdef COMMAND_CLASS + +CommandStyle(run,Run) + +#else + +#ifndef LMP_RUN_H +#define LMP_RUN_H #include "pointers.h" @@ -27,3 +33,4 @@ class Run : protected Pointers { } #endif +#endif diff --git a/src/set.h b/src/set.h index e4d3313b3bbb7018cafaa08b779ef35da9ae6a0c..b49040f8ec07a2539e51d3b20dfaf78f1f10a171 100644 --- a/src/set.h +++ b/src/set.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef SET_H -#define SET_H +#ifdef COMMAND_CLASS + +CommandStyle(set,Set) + +#else + +#ifndef LMP_SET_H +#define LMP_SET_H #include "pointers.h" @@ -40,3 +46,4 @@ class Set : protected Pointers { } #endif +#endif diff --git a/src/shell.h b/src/shell.h index 326657e2a203619edeb4b68ed3ba64cc82740d1b..b039b016dc200cd8edbf1d23ff7e08520e1c33e8 100644 --- a/src/shell.h +++ b/src/shell.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef SHELL_H -#define SHELL_H +#ifdef COMMAND_CLASS + +CommandStyle(shell,Shell) + +#else + +#ifndef LMP_SHELL_H +#define LMP_SHELL_H #include "pointers.h" @@ -27,3 +33,4 @@ class Shell : protected Pointers { } #endif +#endif diff --git a/src/special.h b/src/special.h index fbae488eb74c067b8146b3d665519dc43a454903..e36ecd18c8297ffc526ae83bf4c315fa1f9aba01 100644 --- a/src/special.h +++ b/src/special.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef SPECIAL_H -#define SPECIAL_H +#ifndef LMP_SPECIAL_H +#define LMP_SPECIAL_H #include "pointers.h" diff --git a/src/style.h b/src/style.h deleted file mode 100644 index e8d150b7876d9f4b054b8db5768eaef94ec7f8f7..0000000000000000000000000000000000000000 --- a/src/style.h +++ /dev/null @@ -1,412 +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 -#endif - -#ifdef AngleClass -#endif - -#ifdef AtomInclude -#include "atom_vec_atomic.h" -#include "atom_vec_charge.h" -#include "atom_vec_hybrid.h" -#endif - -#ifdef AtomClass -AtomStyle(atomic,AtomVecAtomic) -AtomStyle(charge,AtomVecCharge) -AtomStyle(hybrid,AtomVecHybrid) -#endif - -#ifdef BondInclude -#endif - -#ifdef BondClass -#endif - -#ifdef CommandInclude -#include "change_box.h" -#include "create_atoms.h" -#include "create_box.h" -#include "delete_atoms.h" -#include "delete_bonds.h" -#include "displace_atoms.h" -#include "displace_box.h" -#include "minimize.h" -#include "read_data.h" -#include "read_restart.h" -#include "replicate.h" -#include "run.h" -#include "set.h" -#include "shell.h" -#include "temper.h" -#include "velocity.h" -#include "write_restart.h" -#endif - -#ifdef CommandClass -CommandStyle(change_box,ChangeBox) -CommandStyle(create_atoms,CreateAtoms) -CommandStyle(create_box,CreateBox) -CommandStyle(delete_atoms,DeleteAtoms) -CommandStyle(delete_bonds,DeleteBonds) -CommandStyle(displace_atoms,DisplaceAtoms) -CommandStyle(displace_box,DisplaceBox) -CommandStyle(minimize,Minimize) -CommandStyle(read_data,ReadData) -CommandStyle(read_restart,ReadRestart) -CommandStyle(replicate,Replicate) -CommandStyle(run,Run) -CommandStyle(set,Set) -CommandStyle(shell,Shell) -CommandStyle(temper,Temper) -CommandStyle(velocity,Velocity) -CommandStyle(write_restart,WriteRestart) -#endif - -#ifdef ComputeInclude -#include "compute_angle_local.h" -#include "compute_bond_local.h" -#include "compute_centro_atom.h" -#include "compute_cna_atom.h" -#include "compute_com.h" -#include "compute_com_molecule.h" -#include "compute_coord_atom.h" -#include "compute_dihedral_local.h" -#include "compute_displace_atom.h" -#include "compute_group_group.h" -#include "compute_gyration.h" -#include "compute_gyration_molecule.h" -#include "compute_heat_flux.h" -#include "compute_improper_local.h" -#include "compute_ke.h" -#include "compute_ke_atom.h" -#include "compute_msd.h" -#include "compute_msd_molecule.h" -#include "compute_pair_local.h" -#include "compute_pe.h" -#include "compute_pe_atom.h" -#include "compute_pressure.h" -#include "compute_rdf.h" -#include "compute_reduce.h" -#include "compute_reduce_region.h" -#include "compute_erotate_sphere.h" -#include "compute_property_atom.h" -#include "compute_property_local.h" -#include "compute_property_molecule.h" -#include "compute_stress_atom.h" -#include "compute_temp.h" -#include "compute_temp_com.h" -#include "compute_temp_deform.h" -#include "compute_temp_partial.h" -#include "compute_temp_profile.h" -#include "compute_temp_ramp.h" -#include "compute_temp_region.h" -#include "compute_temp_sphere.h" -#endif - -#ifdef ComputeClass -ComputeStyle(angle/local,ComputeAngleLocal) -ComputeStyle(bond/local,ComputeBondLocal) -ComputeStyle(centro/atom,ComputeCentroAtom) -ComputeStyle(cna/atom,ComputeCNAAtom) -ComputeStyle(com,ComputeCOM) -ComputeStyle(com/molecule,ComputeCOMMolecule) -ComputeStyle(coord/atom,ComputeCoordAtom) -ComputeStyle(dihedral/local,ComputeDihedralLocal) -ComputeStyle(displace/atom,ComputeDisplaceAtom) -ComputeStyle(group/group,ComputeGroupGroup) -ComputeStyle(gyration,ComputeGyration) -ComputeStyle(gyration/molecule,ComputeGyrationMolecule) -ComputeStyle(heat/flux,ComputeHeatFlux) -ComputeStyle(improper/local,ComputeImproperLocal) -ComputeStyle(ke,ComputeKE) -ComputeStyle(ke/atom,ComputeKEAtom) -ComputeStyle(msd,ComputeMSD) -ComputeStyle(msd/molecule,ComputeMSDMolecule) -ComputeStyle(pair/local,ComputePairLocal) -ComputeStyle(pe,ComputePE) -ComputeStyle(pe/atom,ComputePEAtom) -ComputeStyle(pressure,ComputePressure) -ComputeStyle(rdf,ComputeRDF) -ComputeStyle(reduce,ComputeReduce) -ComputeStyle(reduce/region,ComputeReduceRegion) -ComputeStyle(erotate/sphere,ComputeERotateSphere) -ComputeStyle(property/atom,ComputePropertyAtom) -ComputeStyle(property/local,ComputePropertyLocal) -ComputeStyle(property/molecule,ComputePropertyMolecule) -ComputeStyle(stress/atom,ComputeStressAtom) -ComputeStyle(temp,ComputeTemp) -ComputeStyle(temp/com,ComputeTempCOM) -ComputeStyle(temp/deform,ComputeTempDeform) -ComputeStyle(temp/partial,ComputeTempPartial) -ComputeStyle(temp/profile,ComputeTempProfile) -ComputeStyle(temp/ramp,ComputeTempRamp) -ComputeStyle(temp/region,ComputeTempRegion) -ComputeStyle(temp/sphere,ComputeTempSphere) -#endif - -#ifdef DihedralInclude -#endif - -#ifdef DihedralClass -#endif - -#ifdef DumpInclude -#include "dump_atom.h" -#include "dump_cfg.h" -#include "dump_custom.h" -#include "dump_dcd.h" -#include "dump_local.h" -#include "dump_xyz.h" -#endif - -#ifdef DumpClass -DumpStyle(atom,DumpAtom) -DumpStyle(cfg,DumpCFG) -DumpStyle(custom,DumpCustom) -DumpStyle(dcd,DumpDCD) -DumpStyle(local,DumpLocal) -DumpStyle(xyz,DumpXYZ) -#endif - -#ifdef FixInclude -#include "fix_addforce.h" -#include "fix_aveforce.h" -#include "fix_ave_atom.h" -#include "fix_ave_histo.h" -#include "fix_ave_spatial.h" -#include "fix_ave_time.h" -#include "fix_box_relax.h" -#include "fix_deform.h" -#include "fix_deposit.h" -#include "fix_drag.h" -#include "fix_dt_reset.h" -#include "fix_efield.h" -#include "fix_enforce2d.h" -#include "fix_evaporate.h" -#include "fix_gravity.h" -#include "fix_heat.h" -#include "fix_indent.h" -#include "fix_langevin.h" -#include "fix_lineforce.h" -#include "fix_minimize.h" -#include "fix_momentum.h" -#include "fix_move.h" -#include "fix_nph.h" -#include "fix_npt.h" -#include "fix_npt_sphere.h" -#include "fix_nve.h" -#include "fix_nve_limit.h" -#include "fix_nve_noforce.h" -#include "fix_nve_sphere.h" -#include "fix_nvt.h" -#include "fix_nvt_sllod.h" -#include "fix_nvt_sphere.h" -#include "fix_planeforce.h" -#include "fix_press_berendsen.h" -#include "fix_print.h" -#include "fix_orient_fcc.h" -#include "fix_recenter.h" -#include "fix_respa.h" -#include "fix_rigid.h" -#include "fix_set_force.h" -#include "fix_shake.h" -#include "fix_shear_history.h" -#include "fix_spring.h" -#include "fix_spring_rg.h" -#include "fix_spring_self.h" -#include "fix_store_coord.h" -#include "fix_store_force.h" -#include "fix_temp_berendsen.h" -#include "fix_temp_rescale.h" -#include "fix_thermal_conductivity.h" -#include "fix_tmd.h" -#include "fix_ttm.h" -#include "fix_viscosity.h" -#include "fix_viscous.h" -#include "fix_wall_harmonic.h" -#include "fix_wall_lj126.h" -#include "fix_wall_lj93.h" -#include "fix_wall_reflect.h" -#include "fix_wall_region.h" -#endif - -#ifdef FixClass -FixStyle(addforce,FixAddForce) -FixStyle(aveforce,FixAveForce) -FixStyle(ave/atom,FixAveAtom) -FixStyle(ave/histo,FixAveHisto) -FixStyle(ave/spatial,FixAveSpatial) -FixStyle(ave/time,FixAveTime) -FixStyle(box/relax,FixBoxRelax) -FixStyle(deform,FixDeform) -FixStyle(deposit,FixDeposit) -FixStyle(drag,FixDrag) -FixStyle(dt/reset,FixDtReset) -FixStyle(efield,FixEfield) -FixStyle(enforce2d,FixEnforce2D) -FixStyle(evaporate,FixEvaporate) -FixStyle(gravity,FixGravity) -FixStyle(heat,FixHeat) -FixStyle(indent,FixIndent) -FixStyle(langevin,FixLangevin) -FixStyle(lineforce,FixLineForce) -FixStyle(MINIMIZE,FixMinimize) -FixStyle(momentum,FixMomentum) -FixStyle(move,FixMove) -FixStyle(nph,FixNPH) -FixStyle(npt,FixNPT) -FixStyle(npt/sphere,FixNPTSphere) -FixStyle(nve,FixNVE) -FixStyle(nve/limit,FixNVELimit) -FixStyle(nve/noforce,FixNVENoforce) -FixStyle(nve/sphere,FixNVESphere) -FixStyle(nvt,FixNVT) -FixStyle(nvt/sllod,FixNVTSlodd) -FixStyle(nvt/sphere,FixNVTSphere) -FixStyle(orient/fcc,FixOrientFCC) -FixStyle(press/berendsen,FixPressBerendsen) -FixStyle(planeforce,FixPlaneForce) -FixStyle(print,FixPrint) -FixStyle(recenter,FixRecenter) -FixStyle(RESPA,FixRespa) -FixStyle(rigid,FixRigid) -FixStyle(setforce,FixSetForce) -FixStyle(shake,FixShake) -FixStyle(SHEAR_HISTORY,FixShearHistory) -FixStyle(spring,FixSpring) -FixStyle(spring/rg,FixSpringRG) -FixStyle(spring/self,FixSpringSelf) -FixStyle(store/coord,FixStoreCoord) -FixStyle(store/force,FixStoreForce) -FixStyle(temp/berendsen,FixTempBerendsen) -FixStyle(temp/rescale,FixTempRescale) -FixStyle(thermal/conductivity,FixThermalConductivity) -FixStyle(tmd,FixTMD) -FixStyle(ttm,FixTTM) -FixStyle(viscosity,FixViscosity) -FixStyle(viscous,FixViscous) -FixStyle(wall/harmonic,FixWallHarmonic) -FixStyle(wall/lj126,FixWallLJ126) -FixStyle(wall/lj93,FixWallLJ93) -FixStyle(wall/reflect,FixWallReflect) -FixStyle(wall/region,FixWallRegion) -#endif - -#ifdef ImproperInclude -#endif - -#ifdef ImproperClass -#endif - -#ifdef IntegrateInclude -#include "respa.h" -#include "verlet.h" -#endif - -#ifdef IntegrateClass -IntegrateStyle(respa,Respa) -IntegrateStyle(verlet,Verlet) -# endif - -#ifdef KSpaceInclude -#endif - -#ifdef KSpaceClass -#endif - -#ifdef MinimizeInclude -#include "min_cg.h" -#include "min_hftn.h" -#include "min_sd.h" -#endif - -#ifdef MinimizeClass -MinimizeStyle(cg,MinCG) -MinimizeStyle(hftn,MinHFTN) -MinimizeStyle(sd,MinSD) -# endif - -#ifdef PairInclude -#include "pair_buck.h" -#include "pair_buck_coul_cut.h" -#include "pair_coul_cut.h" -#include "pair_coul_debye.h" -#include "pair_dpd.h" -#include "pair_hybrid.h" -#include "pair_hybrid_overlay.h" -#include "pair_lj_cut.h" -#include "pair_lj_cut_coul_cut.h" -#include "pair_lj_cut_coul_debye.h" -#include "pair_lj_expand.h" -#include "pair_lj_gromacs.h" -#include "pair_lj_gromacs_coul_gromacs.h" -#include "pair_lj_smooth.h" -#include "pair_lj96_cut.h" -#include "pair_morse.h" -#include "pair_soft.h" -#include "pair_table.h" -#include "pair_yukawa.h" -#endif - -#ifdef PairClass -PairStyle(buck,PairBuck) -PairStyle(buck/coul/cut,PairBuckCoulCut) -PairStyle(coul/cut,PairCoulCut) -PairStyle(coul/debye,PairCoulDebye) -PairStyle(dpd,PairDPD) -PairStyle(hybrid,PairHybrid) -PairStyle(hybrid/overlay,PairHybridOverlay) -PairStyle(lj/cut,PairLJCut) -PairStyle(lj/cut/coul/cut,PairLJCutCoulCut) -PairStyle(lj/cut/coul/debye,PairLJCutCoulDebye) -PairStyle(lj/expand,PairLJExpand) -PairStyle(lj/gromacs,PairLJGromacs) -PairStyle(lj/gromacs/coul/gromacs,PairLJGromacsCoulGromacs) -PairStyle(lj/smooth,PairLJSmooth) -PairStyle(lj96/cut,PairLJ96Cut) -PairStyle(morse,PairMorse) -PairStyle(soft,PairSoft) -PairStyle(table,PairTable) -PairStyle(yukawa,PairYukawa) -#endif - -#ifdef RegionInclude -#include "region_block.h" -#include "region_cone.h" -#include "region_cylinder.h" -#include "region_intersect.h" -#include "region_plane.h" -#include "region_prism.h" -#include "region_sphere.h" -#include "region_union.h" -#endif - -#ifdef RegionClass -RegionStyle(block,RegBlock) -RegionStyle(cone,RegCone) -RegionStyle(cylinder,RegCylinder) -RegionStyle(intersect,RegIntersect) -RegionStyle(plane,RegPlane) -RegionStyle(prism,RegPrism) -RegionStyle(sphere,RegSphere) -RegionStyle(union,RegUnion) -#endif - -// package and user add-ons - -#include "style_packages.h" -#include "style_user.h" -#include "style_user_packages.h" diff --git a/src/style_asphere.h b/src/style_asphere.h deleted file mode 100644 index 70dba98aa47623672b6909faff458e5a59b6f52a..0000000000000000000000000000000000000000 --- a/src/style_asphere.h +++ /dev/null @@ -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 diff --git a/src/style_class2.h b/src/style_class2.h deleted file mode 100644 index 3ba9b32df4fa05caf64ba29c329fbeb06ebf26cc..0000000000000000000000000000000000000000 --- a/src/style_class2.h +++ /dev/null @@ -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 deleted file mode 100644 index d5864a0c5f7e135e1f69503ac1e22835b75b044e..0000000000000000000000000000000000000000 --- a/src/style_colloid.h +++ /dev/null @@ -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 diff --git a/src/style_dipole.h b/src/style_dipole.h deleted file mode 100644 index 4708beb13c548516735dfad58422d5e39e1ed56a..0000000000000000000000000000000000000000 --- a/src/style_dipole.h +++ /dev/null @@ -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 diff --git a/src/style_dpd.h b/src/style_dpd.h deleted file mode 100644 index 8ce617c0c2c997f3335db727ec2c565f6f218c22..0000000000000000000000000000000000000000 --- a/src/style_dpd.h +++ /dev/null @@ -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 deleted file mode 100644 index e219d61ef332079d00c68f42a76e3761920c563e..0000000000000000000000000000000000000000 --- a/src/style_granular.h +++ /dev/null @@ -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 diff --git a/src/style_kspace.h b/src/style_kspace.h deleted file mode 100644 index 1c75a94e75bdd2faea13b934018bde044c326a58..0000000000000000000000000000000000000000 --- a/src/style_kspace.h +++ /dev/null @@ -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 diff --git a/src/style_manybody.h b/src/style_manybody.h deleted file mode 100644 index 18cd9070089c478c0d7b534a12c4b5c27dc2f45c..0000000000000000000000000000000000000000 --- a/src/style_manybody.h +++ /dev/null @@ -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 diff --git a/src/style_meam.h b/src/style_meam.h deleted file mode 100644 index 221a363f111f1f80d616cddc14f99186dfe920e7..0000000000000000000000000000000000000000 --- a/src/style_meam.h +++ /dev/null @@ -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_molecule.h b/src/style_molecule.h deleted file mode 100644 index cc4e57483b6f117c9ff8a13b039787c5514c15de..0000000000000000000000000000000000000000 --- a/src/style_molecule.h +++ /dev/null @@ -1,120 +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_charmm.h" -#include "angle_cosine.h" -#include "angle_cosine_delta.h" -#include "angle_cosine_squared.h" -#include "angle_harmonic.h" -#include "angle_hybrid.h" -#include "angle_table.h" -#endif - -#ifdef AngleClass -AngleStyle(charmm,AngleCharmm) -AngleStyle(cosine,AngleCosine) -AngleStyle(cosine/delta,AngleCosineDelta) -AngleStyle(cosine/squared,AngleCosineSquared) -AngleStyle(harmonic,AngleHarmonic) -AngleStyle(hybrid,AngleHybrid) -AngleStyle(table,AngleTable) -#endif - -#ifdef AtomInclude -#include "atom_vec_angle.h" -#include "atom_vec_bond.h" -#include "atom_vec_full.h" -#include "atom_vec_molecular.h" -#endif - -#ifdef AtomClass -AtomStyle(angle,AtomVecAngle) -AtomStyle(bond,AtomVecBond) -AtomStyle(full,AtomVecFull) -AtomStyle(molecular,AtomVecMolecular) -#endif - -#ifdef BondInclude -#include "bond_fene.h" -#include "bond_fene_expand.h" -#include "bond_harmonic.h" -#include "bond_hybrid.h" -#include "bond_morse.h" -#include "bond_nonlinear.h" -#include "bond_quartic.h" -#include "bond_table.h" -#endif - -#ifdef BondClass -BondStyle(fene,BondFENE) -BondStyle(fene/expand,BondFENEExpand) -BondStyle(harmonic,BondHarmonic) -BondStyle(hybrid,BondHybrid) -BondStyle(morse,BondMorse) -BondStyle(nonlinear,BondNonlinear) -BondStyle(quartic,BondQuartic) -BondStyle(table,BondTable) -#endif - -#ifdef DihedralInclude -#include "dihedral_charmm.h" -#include "dihedral_harmonic.h" -#include "dihedral_helix.h" -#include "dihedral_hybrid.h" -#include "dihedral_multi_harmonic.h" -#include "dihedral_opls.h" -#endif - -#ifdef DihedralClass -DihedralStyle(charmm,DihedralCharmm) -DihedralStyle(harmonic,DihedralHarmonic) -DihedralStyle(helix,DihedralHelix) -DihedralStyle(hybrid,DihedralHybrid) -DihedralStyle(multi/harmonic,DihedralMultiHarmonic) -DihedralStyle(opls,DihedralOPLS) -#endif - -#ifdef FixInclude -#include "fix_bond_break.h" -#include "fix_bond_create.h" -#include "fix_bond_swap.h" -#endif - -#ifdef FixClass -FixStyle(bond/break,FixBondBreak) -FixStyle(bond/create,FixBondCreate) -FixStyle(bond/swap,FixBondSwap) -#endif - -#ifdef ImproperInclude -#include "improper_cvff.h" -#include "improper_harmonic.h" -#include "improper_hybrid.h" -#endif - -#ifdef ImproperClass -ImproperStyle(cvff,ImproperCvff) -ImproperStyle(harmonic,ImproperHarmonic) -ImproperStyle(hybrid,ImproperHybrid) -#endif - -#ifdef PairInclude -#include "pair_lj_charmm_coul_charmm.h" -#include "pair_lj_charmm_coul_charmm_implicit.h" -#endif - -#ifdef PairClass -PairStyle(lj/charmm/coul/charmm,PairLJCharmmCoulCharmm) -PairStyle(lj/charmm/coul/charmm/implicit,PairLJCharmmCoulCharmmImplicit) -#endif diff --git a/src/style_opt.h b/src/style_opt.h deleted file mode 100644 index 061816e1366b1f813e6180a1b65ecfe1e3811ebb..0000000000000000000000000000000000000000 --- a/src/style_opt.h +++ /dev/null @@ -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_packages.h b/src/style_packages.h deleted file mode 100644 index 1983238f3708119ebd2cd6577e654eff6f5d05d5..0000000000000000000000000000000000000000 --- a/src/style_packages.h +++ /dev/null @@ -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. -------------------------------------------------------------------------- */ - -// style files for standard packages - -#include "style_asphere.h" -#include "style_class2.h" -#include "style_colloid.h" -#include "style_dipole.h" -#include "style_dsmc.h" -#include "style_gpu.h" -#include "style_granular.h" -#include "style_kspace.h" -#include "style_manybody.h" -#include "style_meam.h" -#include "style_molecule.h" -#include "style_opt.h" -#include "style_peri.h" -#include "style_poems.h" -#include "style_prd.h" -#include "style_reax.h" -#include "style_xtc.h" diff --git a/src/style_poems.h b/src/style_poems.h deleted file mode 100644 index 0434d02bf87bed749af2c5f286aeab1f3cb093d9..0000000000000000000000000000000000000000 --- a/src/style_poems.h +++ /dev/null @@ -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_user.h b/src/style_user.h deleted file mode 100644 index cb024f6ee921119148ee9e731f4e2556b58a8912..0000000000000000000000000000000000000000 --- a/src/style_user.h +++ /dev/null @@ -1,101 +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. -------------------------------------------------------------------------- */ - -// add a style class to LAMMPS by adding 2 lines to this file -// add new include files in appropriate Include ifdef -// add new style keywords and class names in appropriate Class ifdef -// see style.h for examples - -#ifdef AngleInclude -#endif - -#ifdef AngleClass -#endif - -#ifdef AtomInclude -#endif - -#ifdef AtomClass -#endif - -#ifdef BondInclude -#endif - -#ifdef BondClass -#endif - -#ifdef CommandInclude -#endif - -#ifdef CommandClass -#endif - -#ifdef ComputeInclude -#endif - -#ifdef ComputeClass -#endif - -#ifdef DihedralInclude -#endif - -#ifdef DihedralClass -#endif - -#ifdef DumpInclude -#endif - -#ifdef DumpClass -#endif - -#ifdef FixInclude -#endif - -#ifdef FixClass -#endif - -#ifdef ImproperInclude -#endif - -#ifdef ImproperClass -#endif - -#ifdef IntegrateInclude -#endif - -#ifdef IntegrateClass -# endif - -#ifdef KSpaceInclude -#endif - -#ifdef KSpaceClass -#endif - -#ifdef MinimizeInclude -#endif - -#ifdef MinimizeClass -#endif - -#ifdef PairInclude -#endif - -#ifdef PairClass -#endif - -#ifdef RegionInclude -#endif - -#ifdef RegionClass -#endif diff --git a/src/style_user_ackland.h b/src/style_user_ackland.h deleted file mode 100644 index e69de29bb2d1d6434b8b29ae775ad8c2e48c5391..0000000000000000000000000000000000000000 diff --git a/src/style_user_ewaldn.h b/src/style_user_ewaldn.h deleted file mode 100644 index e69de29bb2d1d6434b8b29ae775ad8c2e48c5391..0000000000000000000000000000000000000000 diff --git a/src/style_user_packages.h b/src/style_user_packages.h deleted file mode 100644 index 87603c7b9b1caed8421812c54a4312a4f4741b2b..0000000000000000000000000000000000000000 --- a/src/style_user_packages.h +++ /dev/null @@ -1,23 +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. -------------------------------------------------------------------------- */ - -// style flies for user-contributed packages -// see the README files in individual user-package directories for details - -#include "style_user_ackland.h" -#include "style_user_atc.h" -#include "style_user_cd_eam.h" -#include "style_user_cg_cmm.h" -#include "style_user_ewaldn.h" -#include "style_user_imd.h" -#include "style_user_smd.h" diff --git a/src/style_xtc.h b/src/style_xtc.h deleted file mode 100644 index 7110dda3121b80d9db78f85355f6563459cdf911..0000000000000000000000000000000000000000 --- a/src/style_xtc.h +++ /dev/null @@ -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/src/temper.h b/src/temper.h index 7b6d92c7fffda7216c829a5df821da5173111c91..bf26434213b4f6b0471c6f4b283631000cb7e583 100644 --- a/src/temper.h +++ b/src/temper.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef TEMPER_H -#define TEMPER_H +#ifdef COMMAND_CLASS + +CommandStyle(temper,Temper) + +#else + +#ifndef LMP_TEMPER_H +#define LMP_TEMPER_H #include "pointers.h" @@ -50,3 +56,4 @@ class Temper : protected Pointers { } #endif +#endif diff --git a/src/thermo.h b/src/thermo.h index 06bb96416ed567eca575df7e8acb3def1ec583e0..3e49247f07d6ac704ad1b79145082de9b9681d12 100644 --- a/src/thermo.h +++ b/src/thermo.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef THERMO_H -#define THERMO_H +#ifndef LMP_THERMO_H +#define LMP_THERMO_H #include "pointers.h" diff --git a/src/timer.h b/src/timer.h index f151425d626ebc166af6c81f5031738066705f1f..95851dfd23dd9673db746e2e536ffbbe7bcfb4f5 100644 --- a/src/timer.h +++ b/src/timer.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef TIMER_H -#define TIMER_H +#ifndef LMP_TIMER_H +#define LMP_TIMER_H #include "pointers.h" diff --git a/src/universe.h b/src/universe.h index 6a0a855bd3e3bb1231ca28785e4a9604a536a1d0..ab508af37c386c48c1ed774e3fbb657ea663c003 100644 --- a/src/universe.h +++ b/src/universe.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef UNIVERSE_H -#define UNIVERSE_H +#ifndef LMP_UNIVERSE_H +#define LMP_UNIVERSE_H #include "mpi.h" #include "stdio.h" diff --git a/src/update.cpp b/src/update.cpp index 0665031684a0a70b44031ecb282580a652545131..c6a26b9d1490214e21e2d7306a85aaab27987b39 100644 --- a/src/update.cpp +++ b/src/update.cpp @@ -14,6 +14,8 @@ #include "string.h" #include "stdlib.h" #include "update.h" +#include "style_integrate.h" +#include "style_minimize.h" #include "neighbor.h" #include "force.h" #include "modify.h" @@ -25,12 +27,6 @@ #include "memory.h" #include "error.h" -#define IntegrateInclude -#define MinimizeInclude -#include "style.h" -#undef IntegrateInclude -#undef MinimizeInclude - using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ @@ -183,11 +179,11 @@ void Update::create_integrate(int narg, char **arg) if (0) return; // dummy line to enable else-if macro expansion -#define IntegrateClass +#define INTEGRATE_CLASS #define IntegrateStyle(key,Class) \ else if (strcmp(arg[0],#key) == 0) integrate = new Class(lmp,narg-1,&arg[1]); -#include "style.h" -#undef IntegrateClass +#include "style_integrate.h" +#undef INTEGRATE_CLASS else error->all("Illegal run_style command"); @@ -207,11 +203,11 @@ void Update::create_minimize(int narg, char **arg) if (0) return; // dummy line to enable else-if macro expansion -#define MinimizeClass +#define MINIMIZE_CLASS #define MinimizeStyle(key,Class) \ else if (strcmp(arg[0],#key) == 0) minimize = new Class(lmp); -#include "style.h" -#undef MinimizeClass +#include "style_minimize.h" +#undef MINIMIZE_CLASS else error->all("Illegal min_style command"); diff --git a/src/update.h b/src/update.h index d0d55c5cbebf80675301701c96e573db1bde2d0c..7b16ee3e92ac7d56be88b1f024dbb0f0403f7adc 100644 --- a/src/update.h +++ b/src/update.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef UPDATE_H -#define UPDATE_H +#ifndef LMP_UPDATE_H +#define LMP_UPDATE_H #include "pointers.h" diff --git a/src/variable.h b/src/variable.h index 6afe3bf8a32a4e16ce62acbe13c0b7443c7be217..a45391dd8a9e266b577407fef54b17b22765ff48 100644 --- a/src/variable.h +++ b/src/variable.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef VARIABLE_H -#define VARIABLE_H +#ifndef LMP_VARIABLE_H +#define LMP_VARIABLE_H #include "pointers.h" diff --git a/src/velocity.h b/src/velocity.h index 26a3cb9fca71736fb90689899b5e29d8d3f1470f..3401663c2dcb5a6d7df865ce90134caf84b6ef2e 100644 --- a/src/velocity.h +++ b/src/velocity.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef VELOCITY_H -#define VELOCITY_H +#ifdef COMMAND_CLASS + +CommandStyle(velocity,Velocity) + +#else + +#ifndef LMP_VELOCITY_H +#define LMP_VELOCITY_H #include "pointers.h" @@ -46,3 +52,4 @@ class Velocity : protected Pointers { } #endif +#endif diff --git a/src/verlet.h b/src/verlet.h index fc857d16e98632787f66b2c685d1920b3d5d57ab..de57b4dbc02332dc2d441ddc7090d7d17e7501b4 100644 --- a/src/verlet.h +++ b/src/verlet.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef VERLET_H -#define VERLET_H +#ifdef INTEGRATE_CLASS + +IntegrateStyle(verlet,Verlet) + +#else + +#ifndef LMP_VERLET_H +#define LMP_VERLET_H #include "integrate.h" @@ -37,3 +43,4 @@ class Verlet : public Integrate { } #endif +#endif diff --git a/src/write_restart.h b/src/write_restart.h index b8929c168bd788c194484791cb138c4deffc70d1..c73af2becc499e18f7bb36dd4d50f45676dbafb9 100644 --- a/src/write_restart.h +++ b/src/write_restart.h @@ -11,9 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#ifdef COMMAND_CLASS -#ifndef WRITE_RESTART_H -#define WRITE_RESTART_H +CommandStyle(write_restart,WriteRestart) + +#else + +#ifndef LMP_WRITE_RESTART_H +#define LMP_WRITE_RESTART_H #include "stdio.h" #include "pointers.h" @@ -43,3 +48,4 @@ class WriteRestart : protected Pointers { } #endif +#endif