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Fix langevin removed gjf special message and adapted whitespace style

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This commit is contained in:
charlie sievers
2019-09-25 17:30:41 -07:00
parent 5927f056c5
commit ca159b7b20
1 changed files with 8 additions and 4 deletions
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12
src/fix_langevin.cpp
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@ -112,10 +112,14 @@ FixLangevin::FixLangevin(LAMMPS *lmp, int narg, char **arg) :
} else if (strcmp(arg[iarg],"gjf") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix langevin command");
if (strcmp(arg[iarg+1],"no") == 0) {gjfflag = 0; osflag = 0;}
else if (strcmp(arg[iarg+1],"yes") == 0)
error->all(FLERR,"Fix langevin gjf yes is outdated, please use vhalf or vfull");
else if (strcmp(arg[iarg+1],"vhalf") == 0) {gjfflag = 1; osflag = 0;}
else if (strcmp(arg[iarg+1],"vfull") == 0) {gjfflag = 1; osflag = 1;}
else if (strcmp(arg[iarg+1],"vfull") == 0) {
gjfflag = 1;
osflag = 1;
}
else if (strcmp(arg[iarg+1],"vhalf") == 0) {
gjfflag = 1;
osflag = 0;
}
else error->all(FLERR,"Illegal fix langevin command");
iarg += 2;
} else if (strcmp(arg[iarg],"omega") == 0) {