diff --git a/src/DIPOLE/pair_lj_long_dipole_long.cpp b/src/DIPOLE/pair_lj_long_dipole_long.cpp index bd60345ec2..383e3814cf 100755 --- a/src/DIPOLE/pair_lj_long_dipole_long.cpp +++ b/src/DIPOLE/pair_lj_long_dipole_long.cpp @@ -9,7 +9,7 @@ the GNU General Public License. See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- +------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- Contributing author: Pieter J. in 't Veld and Stan Moore (Sandia) diff --git a/src/MAKE/Makefile.mingw32-cross b/src/MAKE/Makefile.mingw32-cross index 54459aee14..1d3305d8a4 100644 --- a/src/MAKE/Makefile.mingw32-cross +++ b/src/MAKE/Makefile.mingw32-cross @@ -33,7 +33,7 @@ LIBOBJDIR = /Obj_mingw32 # LAMMPS ifdef settings, OPTIONAL # 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 # see discussion in doc/Section_start.html#2_2 (step 5) @@ -66,7 +66,7 @@ FFT_LIB = JPG_INC = JPG_PATH = -JPG_LIB = -ljpeg +JPG_LIB = -ljpeg -lpng -lz # --------------------------------------------------------------------- # build rules and dependencies diff --git a/src/MAKE/Makefile.mingw32-cross-mpi b/src/MAKE/Makefile.mingw32-cross-mpi index 432c1b1d1f..82694c0e40 100644 --- a/src/MAKE/Makefile.mingw32-cross-mpi +++ b/src/MAKE/Makefile.mingw32-cross-mpi @@ -33,7 +33,7 @@ LIBOBJDIR = /Obj_mingw32-mpi # LAMMPS ifdef settings, OPTIONAL # 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 # see discussion in doc/Section_start.html#2_2 (step 5) @@ -66,7 +66,7 @@ FFT_LIB = JPG_INC = JPG_PATH = -JPG_LIB = -ljpeg +JPG_LIB = -ljpeg -lpng -lz # --------------------------------------------------------------------- # build rules and dependencies diff --git a/src/MAKE/Makefile.mingw64-cross b/src/MAKE/Makefile.mingw64-cross index 8cfa6c486b..143566764d 100644 --- a/src/MAKE/Makefile.mingw64-cross +++ b/src/MAKE/Makefile.mingw64-cross @@ -33,7 +33,7 @@ LIBOBJDIR = /Obj_mingw64 # LAMMPS ifdef settings, OPTIONAL # 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 # see discussion in doc/Section_start.html#2_2 (step 5) @@ -66,7 +66,7 @@ FFT_LIB = JPG_INC = JPG_PATH = -JPG_LIB = -ljpeg +JPG_LIB = -ljpeg -lpng -lz # --------------------------------------------------------------------- # build rules and dependencies diff --git a/src/MAKE/Makefile.mingw64-cross-mpi b/src/MAKE/Makefile.mingw64-cross-mpi index 69ed1a6480..ce110ddc30 100644 --- a/src/MAKE/Makefile.mingw64-cross-mpi +++ b/src/MAKE/Makefile.mingw64-cross-mpi @@ -33,7 +33,7 @@ LIBOBJDIR = /Obj_mingw64-mpi # LAMMPS ifdef settings, OPTIONAL # 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 # see discussion in doc/Section_start.html#2_2 (step 5) @@ -66,7 +66,7 @@ FFT_LIB = JPG_INC = JPG_PATH = -JPG_LIB = -ljpeg +JPG_LIB = -ljpeg -lpng -lz # --------------------------------------------------------------------- # build rules and dependencies diff --git a/src/MANYBODY/pair_nb3b_harmonic.cpp b/src/MANYBODY/pair_nb3b_harmonic.cpp index d2121b0752..0f7b787924 100644 --- a/src/MANYBODY/pair_nb3b_harmonic.cpp +++ b/src/MANYBODY/pair_nb3b_harmonic.cpp @@ -80,7 +80,7 @@ void PairNb3bHarmonic::compute(int eflag, int vflag) int i,j,k,ii,jj,kk,inum,jnum,jnumm1; int itype,jtype,ktype,ijparam,ikparam,ijkparam; 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 delr1[3],delr2[3],fj[3],fk[3]; int *ilist,*jlist,*numneigh,**firstneigh; @@ -93,8 +93,6 @@ void PairNb3bHarmonic::compute(int eflag, int vflag) double **f = atom->f; tagint *tag = atom->tag; int *type = atom->type; - int nlocal = atom->nlocal; - int newton_pair = force->newton_pair; inum = list->inum; ilist = list->ilist; @@ -327,7 +325,7 @@ void PairNb3bHarmonic::read_file(char *file) // open file on proc 0 - FILE *fp; + FILE *fp = NULL; if (comm->me == 0) { fp = open_potential(file); if (fp == NULL) { @@ -360,7 +358,7 @@ void PairNb3bHarmonic::read_file(char *file) // strip comment, skip line if blank - if (ptr = strchr(line,'#')) *ptr = '\0'; + if ((ptr = strchr(line,'#'))) *ptr = '\0'; nwords = atom->count_words(line); if (nwords == 0) continue; @@ -379,7 +377,7 @@ void PairNb3bHarmonic::read_file(char *file) if (eof) break; MPI_Bcast(&n,1,MPI_INT,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); } @@ -390,7 +388,7 @@ void PairNb3bHarmonic::read_file(char *file) nwords = 0; 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 // if all 3 args are in element list, then parse this line diff --git a/src/lammps.h b/src/lammps.h index e2e6178976..5407ad20ff 100644 --- a/src/lammps.h +++ b/src/lammps.h @@ -59,6 +59,8 @@ class LAMMPS { private: void help(); void print_style(const char *, int &); + LAMMPS() {}; // prohibit using the default constructor + LAMMPS(const LAMMPS &) {}; // prohibit using the copy constructor }; }