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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1781 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2008-05-09 15:01:06 +00:00
parent b67baddc24
commit abd1a21de3
4 changed files with 7 additions and 7 deletions
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4
src/fix_gyration.cpp
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@ -42,8 +42,8 @@ FixGyration::FixGyration(LAMMPS *lmp, int narg, char **arg) :
}
if (me == 0) {
fprintf(fp,"Radius-of-gyration for group %s\n",group->names[igroup]);
fprintf(fp,"TimeStep Rg\n");
fprintf(fp,"# Radius-of-gyration for group %s\n",group->names[igroup]);
fprintf(fp,"# TimeStep Rg\n");
}
}

4
src/fix_msd.cpp
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@ -46,9 +46,9 @@ FixMSD::FixMSD(LAMMPS *lmp, int narg, char **arg) :
}
if (me == 0) {
fprintf(fp,"Mean-squared Displacement for group %s\n",
fprintf(fp,"# Mean-squared Displacement for group %s\n",
group->names[igroup]);
fprintf(fp,"TimeStep x y z total\n");
fprintf(fp,"# TimeStep x y z total\n");
}
// perform initial allocation of atom-based array

2
src/fix_print.cpp
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@ -68,7 +68,7 @@ FixPrint::FixPrint(LAMMPS *lmp, int narg, char **arg) :
// print header into file
if (fp && me == 0) fprintf(fp,"Fix print output for fix %s\n",id);
if (fp && me == 0) fprintf(fp,"# Fix print output for fix %s\n",id);
copy = new char[MAXLINE];
work = new char[MAXLINE];

4
src/fix_rdf.cpp
View File

@ -260,7 +260,7 @@ void FixRDF::end_of_step()
double constant = 4.0*PI / (3.0*domain->xprd*domain->yprd*domain->zprd);
int irdf;
fprintf(fp,"%s %d \n","TIMESTEP", update->ntimestep);
fprintf(fp,"# Timestep %d\n",update->ntimestep);
fprintf(fp,"%s","r");
for (int i = 1; i <= atom->ntypes; i++)
@ -300,7 +300,7 @@ void FixRDF::end_of_step()
if (update->ntimestep + nevery > update->endstep) {
fprintf(fp,"%s \n","RUN AVERAGE");
fprintf(fp,"# Run Average\n");
fprintf(fp,"%s","r");
for (int i = 1; i <= atom->ntypes; i++)