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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10325 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-07-24 16:07:30 +00:00
parent 5b0af4dedb
commit 3d122eee39
2 changed files with 5 additions and 17 deletions
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2
src/KSPACE/pair_lj_charmm_coul_long.cpp
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@ -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]);
}

20
src/RIGID/fix_rigid.cpp
View File

@ -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');