ICODE-ADC/lammps
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This commit is contained in:
Plimpton
2021-01-21 12:16:39 -07:00
parent 2c1b6adce3
commit 20650dc7ce
5 changed files with 15 additions and 11 deletions
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7
src/fix.cpp
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@ -67,7 +67,6 @@ Fix::Fix(LAMMPS *lmp, int /*narg*/, char **arg) :
virial_global_flag = virial_peratom_flag = 0;
ecouple_flag = 0;
rigid_flag = 0;
peatom_flag = 0;
no_change_box = 0;
time_integrate = 0;
time_depend = 0;
@ -152,7 +151,8 @@ void Fix::modify_params(int narg, char **arg)
if (iarg+2 > narg) error->all(FLERR,"Illegal fix_modify command");
if (strcmp(arg[iarg+1],"no") == 0) thermo_energy = 0;
else if (strcmp(arg[iarg+1],"yes") == 0) {
if (energy_flag == 0) error->all(FLERR,"Illegal fix_modify command");
if (energy_global_flag == 0 && energy_peratom_flag == 0)
error->all(FLERR,"Illegal fix_modify command");
thermo_energy = 1;
} else error->all(FLERR,"Illegal fix_modify command");
iarg += 2;
@ -160,7 +160,8 @@ void Fix::modify_params(int narg, char **arg)
if (iarg+2 > narg) error->all(FLERR,"Illegal fix_modify command");
if (strcmp(arg[iarg+1],"no") == 0) thermo_virial = 0;
else if (strcmp(arg[iarg+1],"yes") == 0) {
if (virial_flag == 0) error->all(FLERR,"Illegal fix_modify command");
if (virial_global_flag == 0 && virial_peratom_flag == 0)
error->all(FLERR,"Illegal fix_modify command");
thermo_virial = 1;
} else error->all(FLERR,"Illegal fix_modify command");
iarg += 2;