git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@306 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/read_restart.cpp

@@ -562,11 +562,8 @@ void ReadRestart::force_fields()
     MPI_Bcast(style,n,MPI_CHAR,0,world);
 
     if (force->pair == NULL || strcmp(style,force->pair_style)) {
-      if (force->pair) {
+      if (force->pair && me == 0)
-	if (me == 0)
+	error->warning("Resetting pair_style to restart file value");
-	  error->warning("Resetting pair_style to restart file value");
-	delete force->pair;
-      }
       force->create_pair(style);
     }
       
@@ -583,11 +580,8 @@ void ReadRestart::force_fields()
       MPI_Bcast(style,n,MPI_CHAR,0,world);
 
       if (force->bond == NULL || strcmp(style,force->bond_style)) {
-	if (force->bond) {
+	if (force->bond && me == 0)
-	  if (me == 0)
+	  error->warning("Resetting bond_style to restart file value");
-	    error->warning("Resetting bond_style to restart file value");
-	  delete force->bond;
-	}
 	force->create_bond(style);
       }
       
@@ -605,11 +599,8 @@ void ReadRestart::force_fields()
       MPI_Bcast(style,n,MPI_CHAR,0,world);
 
       if (force->angle == NULL || strcmp(style,force->angle_style)) {
-	if (force->angle) {
+	if (force->angle && me == 0)
-	  if (me == 0)
+	  error->warning("Resetting angle_style to restart file value");
-	    error->warning("Resetting angle_style to restart file value");
-	  delete force->angle;
-	}
 	force->create_angle(style);
       }
 
@@ -627,11 +618,8 @@ void ReadRestart::force_fields()
       MPI_Bcast(style,n,MPI_CHAR,0,world);
 
       if (force->dihedral == NULL || strcmp(style,force->dihedral_style)) {
-	if (force->dihedral) {
+	if (force->dihedral && me == 0)
-	  if (me == 0)
+	  error->warning("Resetting dihedral_style to restart file value");
-	    error->warning("Resetting dihedral_style to restart file value");
-	  delete force->dihedral;
-	}
 	force->create_dihedral(style);
       }
 
@@ -649,11 +637,8 @@ void ReadRestart::force_fields()
       MPI_Bcast(style,n,MPI_CHAR,0,world);
 
       if (force->improper == NULL || strcmp(style,force->improper_style)) {
-	if (force->improper) {
+	if (force->improper && me == 0)
-	  if (me == 0)
+	  error->warning("Resetting improper_style to restart file value");
-	    error->warning("Resetting improper_style to restart file value");
-	  delete force->improper;
-	}
 	force->create_improper(style);
       }
 

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

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

src/style_granular.h

@@ -0,0 +1,50 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under 
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef AtomInclude
+#include "atom_vec_granular.h"
+#endif
+
+#ifdef AtomClass
+AtomStyle(granular,AtomVecGranular)
+# endif
+
+#ifdef FixInclude
+#include "fix_freeze.h"
+#include "fix_gran_diag.h"
+#include "fix_nve_gran.h"
+#include "fix_pour.h"
+#include "fix_shear_history.h"
+#include "fix_wall_gran.h"
+#endif
+
+#ifdef FixClass
+FixStyle(freeze,FixFreeze)
+FixStyle(gran/diag,FixGranDiag)
+FixStyle(nve/gran,FixNVEGran)
+FixStyle(pour,FixPour)
+FixStyle(SHEAR_HISTORY,FixShearHistory)
+FixStyle(wall/gran,FixWallGran)
+#endif
+
+#ifdef PairInclude
+#include "pair_gran_hertzian.h"
+#include "pair_gran_history.h"
+#include "pair_gran_no_history.h"
+#endif
+
+#ifdef PairClass
+PairStyle(gran/hertzian,PairGranHertzian)
+PairStyle(gran/history,PairGranHistory)
+PairStyle(gran/no_history,PairGranNoHistory)
+#endif

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

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