From 3d122eee39cd6ad26697fbaf77199b7c2abcd294 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Wed, 24 Jul 2013 16:07:30 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10325 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/KSPACE/pair_lj_charmm_coul_long.cpp | 2 +- src/RIGID/fix_rigid.cpp | 20 ++++---------------- 2 files changed, 5 insertions(+), 17 deletions(-) diff --git a/src/KSPACE/pair_lj_charmm_coul_long.cpp b/src/KSPACE/pair_lj_charmm_coul_long.cpp index 29729342d0..96f9cfd89c 100644 --- a/src/KSPACE/pair_lj_charmm_coul_long.cpp +++ b/src/KSPACE/pair_lj_charmm_coul_long.cpp @@ -941,7 +941,7 @@ void PairLJCharmmCoulLong::write_data_all(FILE *fp) { for (int i = 1; i <= atom->ntypes; i++) for (int j = i; j <= atom->ntypes; j++) - fprintf(fp,"%d %d %g %g %g %g %g\n",i,j, + fprintf(fp,"%d %d %g %g %g %g\n",i,j, epsilon[i][j],sigma[i][j],eps14[i][j],sigma14[i][j]); } diff --git a/src/RIGID/fix_rigid.cpp b/src/RIGID/fix_rigid.cpp index e80f6ddbb7..fa409d32e9 100644 --- a/src/RIGID/fix_rigid.cpp +++ b/src/RIGID/fix_rigid.cpp @@ -2057,7 +2057,7 @@ void FixRigid::setup_bodies() void FixRigid::readfile(int which, double *vec, double **array, int *inbody) { - int i,j,m,nchunk,id; + int i,j,m,nchunk,id,eofflag; int nlines; FILE *fp; char *eof,*start,*next,*buf; @@ -2088,21 +2088,9 @@ void FixRigid::readfile(int which, double *vec, double **array, int *inbody) int nread = 0; while (nread < nlines) { - if (nlines-nread > CHUNK) nchunk = CHUNK; - else nchunk = nlines-nread; - if (me == 0) { - char *eof; - m = 0; - for (i = 0; i < nchunk; i++) { - eof = fgets(&buffer[m],MAXLINE,fp); - if (eof == NULL) error->one(FLERR,"Unexpected end of fix rigid file"); - m += strlen(&buffer[m]); - } - if (buffer[m-1] != '\n') strcpy(&buffer[m++],"\n"); - m++; - } - MPI_Bcast(&m,1,MPI_INT,0,world); - MPI_Bcast(buffer,m,MPI_CHAR,0,world); + nchunk = MIN(nlines-nread,CHUNK); + eofflag = comm->read_lines_from_file(fp,nchunk,MAXLINE,buffer); + if (eofflag) error->all(FLERR,"Unexpected end of data file"); buf = buffer; next = strchr(buf,'\n');