From 213562dfbd86af8bb2ba32769f5b9c574d8a73dc Mon Sep 17 00:00:00 2001 From: sjplimp Date: Mon, 28 Sep 2009 16:08:11 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3183 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/GPU/Install.csh | 4 ++ src/MEAM/Install.csh | 4 ++ src/Makefile.package | 9 ++- src/REAX/Install.csh | 4 ++ src/USER-ATC/Install.csh | 4 ++ src/style_asphere.h | 52 ++++++++++++++++ src/style_class2.h | 56 +++++++++++++++++ src/style_colloid.h | 22 +++++++ src/style_dipole.h | 28 +++++++++ src/style_dpd.h | 28 +++++++++ src/style_granular.h | 46 ++++++++++++++ src/style_kspace.h | 42 +++++++++++++ src/style_manybody.h | 32 ++++++++++ src/style_meam.h | 20 ++++++ src/style_molecule.h | 128 +++++++++++++++++++++++++++++++++++++++ src/style_opt.h | 30 +++++++++ src/style_poems.h | 20 ++++++ src/style_user_ackland.h | 20 ------ src/style_xtc.h | 20 ++++++ 19 files changed, 546 insertions(+), 23 deletions(-) diff --git a/src/GPU/Install.csh b/src/GPU/Install.csh index 2f89ea95da..056a12ec5d 100644 --- a/src/GPU/Install.csh +++ b/src/GPU/Install.csh @@ -5,8 +5,11 @@ if ($1 == 1) then sed -i -e 's/[^ \t]*gpu //' ../Makefile.package + sed -i -e 's/[^ \t]*gpu_[^ \t]*) //' ../Makefile.package sed -i -e 's|^PKGPATH =[ \t]*|&-L../../lib/gpu |' ../Makefile.package sed -i -e 's|^PKGLIB =[ \t]*|&-lgpu |' ../Makefile.package + sed -i -e 's|^PKGPATHSYS =[ \t]*|&$(gpu_SYSLIBPATH) |' ../Makefile.package + sed -i -e 's|^PKGLIBSYS =[ \t]*|&$(gpu_SYSLIB) |' ../Makefile.package cp style_gpu.h tmp.h if (! -e ../pair_gayberne.cpp) then @@ -26,6 +29,7 @@ if ($1 == 1) then 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 diff --git a/src/MEAM/Install.csh b/src/MEAM/Install.csh index 2321b70100..828380a89c 100644 --- a/src/MEAM/Install.csh +++ b/src/MEAM/Install.csh @@ -4,9 +4,12 @@ if ($1 == 1) then sed -i -e 's/[^ \t]*meam //' ../Makefile.package + sed -i -e 's/[^ \t]*meam_[^ \t]*) //' ../Makefile.package sed -i -e 's|^PKGINC =[ \t]*|&-I../../lib/meam |' ../Makefile.package sed -i -e 's|^PKGPATH =[ \t]*|&-L../../lib/meam |' ../Makefile.package sed -i -e 's|^PKGLIB =[ \t]*|&-lmeam |' ../Makefile.package + sed -i -e 's|^PKGPATHSYS =[ \t]*|&$(meam_SYSLIBPATH) |' ../Makefile.package + sed -i -e 's|^PKGLIBSYS =[ \t]*|&$(meam_SYSLIB) |' ../Makefile.package cp style_meam.h .. @@ -17,6 +20,7 @@ if ($1 == 1) then 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 diff --git a/src/Makefile.package b/src/Makefile.package index 1edf76c29b..1ab7ed8684 100644 --- a/src/Makefile.package +++ b/src/Makefile.package @@ -1,6 +1,9 @@ # Settings for libraries used by specific LAMMPS packages # this file is auto-edited when those packages are included/excluded -PKGINC = -PKGPATH = -PKGLIB = +PKGINC = -I../../lib/reax -I../../lib/poems -I../../lib/meam +PKGPATH = -L../../lib/reax -L../../lib/poems -L../../lib/meam +PKGLIB = -lreax -lpoems -lmeam + +PKGPATHSYS = $(reax_SYSLIBPATH) $(meam_SYSLIBPATH) +PKGLIBSYS = $(reax_SYSLIB) $(meam_SYSLIB) diff --git a/src/REAX/Install.csh b/src/REAX/Install.csh index b8f6ca8366..4d125f58d0 100644 --- a/src/REAX/Install.csh +++ b/src/REAX/Install.csh @@ -4,9 +4,12 @@ if ($1 == 1) then sed -i -e 's/[^ \t]*reax //' ../Makefile.package + sed -i -e 's/[^ \t]*reax_[^ \t]*) //' ../Makefile.package sed -i -e 's|^PKGINC =[ \t]*|&-I../../lib/reax |' ../Makefile.package sed -i -e 's|^PKGPATH =[ \t]*|&-L../../lib/reax |' ../Makefile.package sed -i -e 's|^PKGLIB =[ \t]*|&-lreax |' ../Makefile.package + sed -i -e 's|^PKGPATHSYS =[ \t]*|&$(reax_SYSLIBPATH) |' ../Makefile.package + sed -i -e 's|^PKGLIBSYS =[ \t]*|&$(reax_SYSLIB) |' ../Makefile.package cp style_reax.h .. @@ -20,6 +23,7 @@ if ($1 == 1) then 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 diff --git a/src/USER-ATC/Install.csh b/src/USER-ATC/Install.csh index 7e4f57ba28..edbc361fd3 100755 --- a/src/USER-ATC/Install.csh +++ b/src/USER-ATC/Install.csh @@ -4,9 +4,12 @@ if ($1 == 1) then sed -i -e 's/[^ \t]*atc //' ../Makefile.package + sed -i -e 's/[^ \t]*atc_[^ \t]*) //' ../Makefile.package sed -i -e 's|^PKGINC =[ \t]*|&-I../../lib/atc |' ../Makefile.package sed -i -e 's|^PKGPATH =[ \t]*|&-L../../lib/atc |' ../Makefile.package sed -i -e 's|^PKGLIB =[ \t]*|&-latc |' ../Makefile.package + sed -i -e 's|^PKGPATHSYS =[ \t]*|&$(user-atc_SYSLIBPATH) |' ../Makefile.package + sed -i -e 's|^PKGLIBSYS =[ \t]*|&$(user-atc_SYSLIB) |' ../Makefile.package cp style_user_atc.h .. @@ -16,6 +19,7 @@ if ($1 == 1) then 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 diff --git a/src/style_asphere.h b/src/style_asphere.h index e69de29bb2..70dba98aa4 100644 --- a/src/style_asphere.h +++ b/src/style_asphere.h @@ -0,0 +1,52 @@ +/* ---------------------------------------------------------------------- + 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 index e69de29bb2..3ba9b32df4 100644 --- a/src/style_class2.h +++ b/src/style_class2.h @@ -0,0 +1,56 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + http://lammps.sandia.gov, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +#ifdef AngleInclude +#include "angle_class2.h" +#endif + +#ifdef AngleClass +AngleStyle(class2,AngleClass2) +#endif + +#ifdef BondInclude +#include "bond_class2.h" +#endif + +#ifdef BondClass +BondStyle(class2,BondClass2) +#endif + +#ifdef DihedralInclude +#include "dihedral_class2.h" +#endif + +#ifdef DihedralClass +DihedralStyle(class2,DihedralClass2) +#endif + +#ifdef ImproperInclude +#include "improper_class2.h" +#endif + +#ifdef ImproperClass +ImproperStyle(class2,ImproperClass2) +#endif + +#ifdef PairInclude +#include "pair_lj_class2.h" +#include "pair_lj_class2_coul_cut.h" +#include "pair_lj_class2_coul_long.h" +#endif + +#ifdef PairClass +PairStyle(lj/class2,PairLJClass2) +PairStyle(lj/class2/coul/cut,PairLJClass2CoulCut) +PairStyle(lj/class2/coul/long,PairLJClass2CoulLong) +#endif diff --git a/src/style_colloid.h b/src/style_colloid.h index e69de29bb2..9655340b35 100644 --- a/src/style_colloid.h +++ b/src/style_colloid.h @@ -0,0 +1,22 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + http://lammps.sandia.gov, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +#ifdef PairInclude +#include "pair_colloid.h" +#include "pair_lubricate.h" +#endif + +#ifdef PairClass +PairStyle(colloid,PairColloid) +PairStyle(lubricate,PairLubricate) +#endif diff --git a/src/style_dipole.h b/src/style_dipole.h index e69de29bb2..4708beb13c 100644 --- a/src/style_dipole.h +++ b/src/style_dipole.h @@ -0,0 +1,28 @@ +/* ---------------------------------------------------------------------- + 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 index e69de29bb2..8ce617c0c2 100644 --- a/src/style_dpd.h +++ b/src/style_dpd.h @@ -0,0 +1,28 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + http://lammps.sandia.gov, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +#ifdef AtomInclude +#include "atom_vec_dpd.h" +#endif + +#ifdef AtomClass +AtomStyle(dpd,AtomVecDPD) +#endif + +#ifdef PairInclude +#include "pair_dpd.h" +#endif + +#ifdef PairClass +PairStyle(dpd,PairDPD) +#endif diff --git a/src/style_granular.h b/src/style_granular.h index e69de29bb2..e219d61ef3 100644 --- a/src/style_granular.h +++ b/src/style_granular.h @@ -0,0 +1,46 @@ +/* ---------------------------------------------------------------------- + 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 index e69de29bb2..1c75a94e75 100644 --- a/src/style_kspace.h +++ b/src/style_kspace.h @@ -0,0 +1,42 @@ +/* ---------------------------------------------------------------------- + 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 index e69de29bb2..18cd907008 100644 --- a/src/style_manybody.h +++ b/src/style_manybody.h @@ -0,0 +1,32 @@ +/* ---------------------------------------------------------------------- + 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 index e69de29bb2..221a363f11 100644 --- a/src/style_meam.h +++ b/src/style_meam.h @@ -0,0 +1,20 @@ +/* ---------------------------------------------------------------------- + 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 index e69de29bb2..85c1514218 100644 --- a/src/style_molecule.h +++ b/src/style_molecule.h @@ -0,0 +1,128 @@ +/* ---------------------------------------------------------------------- + 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 DumpInclude +#include "dump_bond.h" +#endif + +#ifdef DumpClass +DumpStyle(bond,DumpBond) +#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 index e69de29bb2..061816e136 100644 --- a/src/style_opt.h +++ b/src/style_opt.h @@ -0,0 +1,30 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + http://lammps.sandia.gov, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +#ifdef PairInclude +#include "pair_eam_opt.h" +#include "pair_eam_alloy_opt.h" +#include "pair_eam_fs_opt.h" +#include "pair_lj_charmm_coul_long_opt.h" +#include "pair_lj_cut_opt.h" +#include "pair_morse_opt.h" +#endif + +#ifdef PairClass +PairStyle(eam/opt,PairEAMOpt) +PairStyle(eam/alloy/opt,PairEAMAlloyOpt) +PairStyle(eam/fs/opt,PairEAMFSOpt) +PairStyle(lj/cut/opt,PairLJCutOpt) +PairStyle(lj/charmm/coul/long/opt,PairLJCharmmCoulLongOpt) +PairStyle(morse/opt,PairMorseOpt) +#endif diff --git a/src/style_poems.h b/src/style_poems.h index e69de29bb2..0434d02bf8 100644 --- a/src/style_poems.h +++ b/src/style_poems.h @@ -0,0 +1,20 @@ +/* ---------------------------------------------------------------------- + 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_ackland.h b/src/style_user_ackland.h index 6e7483a9f7..e69de29bb2 100644 --- a/src/style_user_ackland.h +++ b/src/style_user_ackland.h @@ -1,20 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef ComputeInclude -#include "compute_ackland_atom.h" -#endif - -#ifdef ComputeClass -ComputeStyle(ackland/atom,ComputeAcklandAtom) -#endif diff --git a/src/style_xtc.h b/src/style_xtc.h index e69de29bb2..7110dda312 100644 --- a/src/style_xtc.h +++ b/src/style_xtc.h @@ -0,0 +1,20 @@ +/* ---------------------------------------------------------------------- + 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