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add nocoeff option to write_data to skip writing FF parameters

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This commit is contained in:
Axel Kohlmeyer
2015-07-09 19:35:08 -04:00
parent e552ffbb5a
commit 5880f41391
3 changed files with 13 additions and 2 deletions
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6
src/write_data.cpp
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@ -73,6 +73,7 @@ void WriteData::command(int narg, char **arg)
// noinit is a hidden arg, only used by -r command-line switch
pairflag = II;
coeffflag = 1;
int noinit = 0;
int iarg = 1;
@ -86,6 +87,9 @@ void WriteData::command(int narg, char **arg)
} else if (strcmp(arg[iarg],"noinit") == 0) {
noinit = 1;
iarg++;
} else if (strcmp(arg[iarg],"nocoeff") == 0) {
coeffflag = 0;
iarg++;
} else error->all(FLERR,"Illegal write_data command");
}
@ -176,7 +180,7 @@ void WriteData::write(char *file)
if (me == 0) {
header();
type_arrays();
force_fields();
if (coeffflag) force_fields();
}
// per atom info