git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1844 f3b2605a-c512-4ea7-a41b-209d697bcdaa

doc/Section_tools.html

@@ -43,7 +43,7 @@ to edit for your platform) which will build several of the tools which
 reside in that directory.  Some of them are larger packages in their
 own sub-directories with their own Makefiles.
 </P>
-<UL><LI><A HREF = "#amber">amber2lammps</A>
+<UL><LI><A HREF = "#amber">amber2lmp</A>
 <LI><A HREF = "#binary">binary2txt</A>
 <LI><A HREF = "#charmm">ch2lmp</A>
 <LI><A HREF = "#chain">chain</A>

src/style_kspace.h

@@ -0,0 +1,40 @@
+/* ----------------------------------------------------------------------
+   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_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(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

src/style_manybody.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_airebo.h"
+#include "pair_eam.h"
+#include "pair_eam_alloy.h"
+#include "pair_eam_fs.h"
+#include "pair_sw.h"
+#include "pair_tersoff.h"
+#endif
+
+#ifdef PairClass
+PairStyle(airebo,PairAIREBO)
+PairStyle(eam,PairEAM)
+PairStyle(eam/alloy,PairEAMAlloy)
+PairStyle(eam/fs,PairEAMFS)
+PairStyle(sw,PairSW)
+PairStyle(tersoff,PairTersoff)
+#endif

src/style_molecule.h

@@ -0,0 +1,120 @@
+/* ----------------------------------------------------------------------
+   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"
+#endif
+
+#ifdef AngleClass
+AngleStyle(charmm,AngleCharmm)
+AngleStyle(cosine,AngleCosine)
+AngleStyle(cosine/delta,AngleCosineDelta)
+AngleStyle(cosine/squared,AngleCosineSquared)
+AngleStyle(harmonic,AngleHarmonic)
+AngleStyle(hybrid,AngleHybrid)
+#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"
+#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)
+#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_swap.h"
+#endif
+
+#ifdef FixClass
+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