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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11414 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-01-31 00:18:58 +00:00
parent ca3998a659
commit 479c7ec151
7 changed files with 16 additions and 16 deletions
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2
src/DIPOLE/pair_lj_long_dipole_long.cpp
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@ -9,7 +9,7 @@
the GNU General Public License. the GNU General Public License.
See the README file in the top-level LAMMPS directory. See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- ------------------------------------------------------------------------- */
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
Contributing author: Pieter J. in 't Veld and Stan Moore (Sandia) Contributing author: Pieter J. in 't Veld and Stan Moore (Sandia)

4
src/MAKE/Makefile.mingw32-cross
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@ -33,7 +33,7 @@ LIBOBJDIR = /Obj_mingw32
# LAMMPS ifdef settings, OPTIONAL # LAMMPS ifdef settings, OPTIONAL
# see possible settings in doc/Section_start.html#2_2 (step 4) # see possible settings in doc/Section_start.html#2_2 (step 4)
LMP_INC = -DLAMMPS_SMALLSMALL -DLAMMPS_JPEG -DLAMMPS_XDR #-DLAMMPS_GZIP -DMALLOC_MEMALIGN=64 LMP_INC = -DLAMMPS_SMALLSMALL -DLAMMPS_JPEG -DLAMMPS_PNG -DLAMMPS_XDR -DLAMMPS_GZIP -DLAMMPS_FFMPEG
# MPI library, REQUIRED # MPI library, REQUIRED
# see discussion in doc/Section_start.html#2_2 (step 5) # see discussion in doc/Section_start.html#2_2 (step 5)
@ -66,7 +66,7 @@ FFT_LIB =
JPG_INC = JPG_INC =
JPG_PATH = JPG_PATH =
JPG_LIB = -ljpeg JPG_LIB = -ljpeg -lpng -lz
# --------------------------------------------------------------------- # ---------------------------------------------------------------------
# build rules and dependencies # build rules and dependencies

4
src/MAKE/Makefile.mingw32-cross-mpi
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@ -33,7 +33,7 @@ LIBOBJDIR = /Obj_mingw32-mpi
# LAMMPS ifdef settings, OPTIONAL # LAMMPS ifdef settings, OPTIONAL
# see possible settings in doc/Section_start.html#2_2 (step 4) # see possible settings in doc/Section_start.html#2_2 (step 4)
LMP_INC = -DLAMMPS_SMALLSMALL -DLAMMPS_JPEG -DLAMMPS_XDR #-DLAMMPS_GZIP -DMALLOC_MEMALIGN=64 LMP_INC = -DLAMMPS_SMALLSMALL -DLAMMPS_JPEG -DLAMMPS_PNG -DLAMMPS_XDR -DLAMMPS_GZIP -DLAMMPS_FFMPEG
# MPI library, REQUIRED # MPI library, REQUIRED
# see discussion in doc/Section_start.html#2_2 (step 5) # see discussion in doc/Section_start.html#2_2 (step 5)
@ -66,7 +66,7 @@ FFT_LIB =
JPG_INC = JPG_INC =
JPG_PATH = JPG_PATH =
JPG_LIB = -ljpeg JPG_LIB = -ljpeg -lpng -lz
# --------------------------------------------------------------------- # ---------------------------------------------------------------------
# build rules and dependencies # build rules and dependencies

4
src/MAKE/Makefile.mingw64-cross
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@ -33,7 +33,7 @@ LIBOBJDIR = /Obj_mingw64
# LAMMPS ifdef settings, OPTIONAL # LAMMPS ifdef settings, OPTIONAL
# see possible settings in doc/Section_start.html#2_2 (step 4) # see possible settings in doc/Section_start.html#2_2 (step 4)
LMP_INC = -DLAMMPS_SMALLBIG -DLAMMPS_JPEG -DLAMMPS_XDR #-DLAMMPS_GZIP -DMALLOC_MEMALIGN=64 LMP_INC = -DLAMMPS_SMALLBIG -DLAMMPS_JPEG -DLAMMPS_PNG -DLAMMPS_XDR -DLAMMPS_GZIP -DLAMMPS_FFMPEG
# MPI library, REQUIRED # MPI library, REQUIRED
# see discussion in doc/Section_start.html#2_2 (step 5) # see discussion in doc/Section_start.html#2_2 (step 5)
@ -66,7 +66,7 @@ FFT_LIB =
JPG_INC = JPG_INC =
JPG_PATH = JPG_PATH =
JPG_LIB = -ljpeg JPG_LIB = -ljpeg -lpng -lz
# --------------------------------------------------------------------- # ---------------------------------------------------------------------
# build rules and dependencies # build rules and dependencies

4
src/MAKE/Makefile.mingw64-cross-mpi
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@ -33,7 +33,7 @@ LIBOBJDIR = /Obj_mingw64-mpi
# LAMMPS ifdef settings, OPTIONAL # LAMMPS ifdef settings, OPTIONAL
# see possible settings in doc/Section_start.html#2_2 (step 4) # see possible settings in doc/Section_start.html#2_2 (step 4)
LMP_INC = -DLAMMPS_SMALLBIG -DLAMMPS_JPEG -DLAMMPS_XDR #-DLAMMPS_GZIP -DMALLOC_MEMALIGN=64 LMP_INC = -DLAMMPS_SMALLBIG -DLAMMPS_JPEG -DLAMMPS_PNG -DLAMMPS_XDR -DLAMMPS_GZIP -DLAMMPS_FFMPEG
# MPI library, REQUIRED # MPI library, REQUIRED
# see discussion in doc/Section_start.html#2_2 (step 5) # see discussion in doc/Section_start.html#2_2 (step 5)
@ -66,7 +66,7 @@ FFT_LIB =
JPG_INC = JPG_INC =
JPG_PATH = JPG_PATH =
JPG_LIB = -ljpeg JPG_LIB = -ljpeg -lpng -lz
# --------------------------------------------------------------------- # ---------------------------------------------------------------------
# build rules and dependencies # build rules and dependencies

12
src/MANYBODY/pair_nb3b_harmonic.cpp
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@ -80,7 +80,7 @@ void PairNb3bHarmonic::compute(int eflag, int vflag)
int i,j,k,ii,jj,kk,inum,jnum,jnumm1; int i,j,k,ii,jj,kk,inum,jnum,jnumm1;
int itype,jtype,ktype,ijparam,ikparam,ijkparam; int itype,jtype,ktype,ijparam,ikparam,ijkparam;
tagint itag,jtag; tagint itag,jtag;
double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair; double xtmp,ytmp,ztmp,delx,dely,delz,evdwl;
double rsq,rsq1,rsq2; double rsq,rsq1,rsq2;
double delr1[3],delr2[3],fj[3],fk[3]; double delr1[3],delr2[3],fj[3],fk[3];
int *ilist,*jlist,*numneigh,**firstneigh; int *ilist,*jlist,*numneigh,**firstneigh;
@ -93,8 +93,6 @@ void PairNb3bHarmonic::compute(int eflag, int vflag)
double **f = atom->f; double **f = atom->f;
tagint *tag = atom->tag; tagint *tag = atom->tag;
int *type = atom->type; int *type = atom->type;
int nlocal = atom->nlocal;
int newton_pair = force->newton_pair;
inum = list->inum; inum = list->inum;
ilist = list->ilist; ilist = list->ilist;
@ -327,7 +325,7 @@ void PairNb3bHarmonic::read_file(char *file)
// open file on proc 0 // open file on proc 0
FILE *fp; FILE *fp = NULL;
if (comm->me == 0) { if (comm->me == 0) {
fp = open_potential(file); fp = open_potential(file);
if (fp == NULL) { if (fp == NULL) {
@ -360,7 +358,7 @@ void PairNb3bHarmonic::read_file(char *file)
// strip comment, skip line if blank // strip comment, skip line if blank
if (ptr = strchr(line,'#')) *ptr = '\0'; if ((ptr = strchr(line,'#'))) *ptr = '\0';
nwords = atom->count_words(line); nwords = atom->count_words(line);
if (nwords == 0) continue; if (nwords == 0) continue;
@ -379,7 +377,7 @@ void PairNb3bHarmonic::read_file(char *file)
if (eof) break; if (eof) break;
MPI_Bcast(&n,1,MPI_INT,0,world); MPI_Bcast(&n,1,MPI_INT,0,world);
MPI_Bcast(line,n,MPI_CHAR,0,world); MPI_Bcast(line,n,MPI_CHAR,0,world);
if (ptr = strchr(line,'#')) *ptr = '\0'; if ((ptr = strchr(line,'#'))) *ptr = '\0';
nwords = atom->count_words(line); nwords = atom->count_words(line);
} }
@ -390,7 +388,7 @@ void PairNb3bHarmonic::read_file(char *file)
nwords = 0; nwords = 0;
words[nwords++] = strtok(line," \t\n\r\f"); words[nwords++] = strtok(line," \t\n\r\f");
while (words[nwords++] = strtok(NULL," \t\n\r\f")) continue; while ((words[nwords++] = strtok(NULL," \t\n\r\f"))) continue;
// ielement,jelement,kelement = 1st args // ielement,jelement,kelement = 1st args
// if all 3 args are in element list, then parse this line // if all 3 args are in element list, then parse this line

2
src/lammps.h
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@ -59,6 +59,8 @@ class LAMMPS {
private: private:
void help(); void help();
void print_style(const char *, int &); void print_style(const char *, int &);
LAMMPS() {}; // prohibit using the default constructor
LAMMPS(const LAMMPS &) {}; // prohibit using the copy constructor
}; };
} }