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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13983 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-09-02 20:39:55 +00:00
parent 3f79c91279
commit 047be536bc
35 changed files with 236 additions and 104 deletions
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10
src/fix_ave_chunk.cpp
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@ -325,6 +325,7 @@ FixAveChunk::FixAveChunk(LAMMPS *lmp, int narg, char **arg) :
// print file comment lines
if (fp && me == 0) {
clearerr(fp);
if (title1) fprintf(fp,"%s\n",title1);
else fprintf(fp,"# Chunk-averaged data for fix %s and group %s\n",
id,arg[1]);
@ -350,6 +351,9 @@ FixAveChunk::FixAveChunk(LAMMPS *lmp, int narg, char **arg) :
for (int i = 0; i < nvalues; i++) fprintf(fp," %s",arg[7+i]);
fprintf(fp,"\n");
}
if (ferror(fp))
error->one(FLERR,"Error writing file header");
filepos = ftell(fp);
}
@ -878,6 +882,7 @@ void FixAveChunk::end_of_step()
// output result to file
if (fp && me == 0) {
clearerr(fp);
if (overwrite) fseek(fp,filepos,SEEK_SET);
double count = 0.0;
for (m = 0; m < nchunk; m++) count += count_total[m];
@ -959,11 +964,14 @@ void FixAveChunk::end_of_step()
}
}
}
if (ferror(fp))
error->one(FLERR,"Error writing averaged chunk data");
fflush(fp);
if (overwrite) {
long fileend = ftell(fp);
ftruncate(fileno(fp),fileend);
if (fileend > 0) ftruncate(fileno(fp),fileend);
}
}
}