ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

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

Browse Source
This commit is contained in:
sjplimp
2015-09-02 20:39:55 +00:00
parent 3f79c91279
commit 047be536bc
35 changed files with 236 additions and 104 deletions
Download Patch File Download Diff File Expand all files Collapse all files

11
src/fix_ave_time.cpp
View File

@ -294,6 +294,7 @@ FixAveTime::FixAveTime(LAMMPS *lmp, int narg, char **arg) :
// since array args may have been expanded to multiple vectors
if (fp && me == 0) {
clearerr(fp);
if (title1) fprintf(fp,"%s\n",title1);
else fprintf(fp,"# Time-averaged data for fix %s\n",id);
if (title2) fprintf(fp,"%s\n",title2);
@ -313,6 +314,9 @@ FixAveTime::FixAveTime(LAMMPS *lmp, int narg, char **arg) :
}
fprintf(fp,"\n");
}
if (ferror(fp))
error->one(FLERR,"Error writing file header");
filepos = ftell(fp);
}
@ -692,14 +696,19 @@ void FixAveTime::invoke_scalar(bigint ntimestep)
// output result to file
if (fp && me == 0) {
clearerr(fp);
if (overwrite) fseek(fp,filepos,SEEK_SET);
fprintf(fp,BIGINT_FORMAT,ntimestep);
for (i = 0; i < nvalues; i++) fprintf(fp,format,vector_total[i]/norm);
fprintf(fp,"\n");
if (ferror(fp))
error->one(FLERR,"Error writing out time averaged data");
fflush(fp);
if (overwrite) {
long fileend = ftell(fp);
ftruncate(fileno(fp),fileend);
if (fileend > 0) ftruncate(fileno(fp),fileend);
}
}
}