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

nolabel for write_data

Browse Source 
also bug fixes
This commit is contained in:
jrgissing
2021-01-31 16:37:09 -05:00
parent b92adfaf6f
commit 4f219a94aa
8 changed files with 20 additions and 8 deletions
Download Patch File Download Diff File Expand all files Collapse all files

6
src/write_data.cpp
View File

@ -72,6 +72,7 @@ void WriteData::command(int narg, char **arg)
pairflag = II;
coeffflag = 1;
fixflag = 1;
lmapflag = 1;
int noinit = 0;
int iarg = 1;
@ -91,6 +92,9 @@ void WriteData::command(int narg, char **arg)
} else if (strcmp(arg[iarg],"nofix") == 0) {
fixflag = 0;
iarg++;
} else if (strcmp(arg[iarg],"nolabelmap") == 0) {
lmapflag = 0;
iarg++;
} else error->all(FLERR,"Illegal write_data command");
}
@ -186,7 +190,7 @@ void WriteData::write(const std::string &file)
if (me == 0) {
header();
if (atom->labelmapflag) atom->lmaps[0]->write_data(fp);
if (lmapflag && atom->labelmapflag) atom->lmaps[0]->write_data(fp);
type_arrays();
if (coeffflag) force_fields();
}