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improved error messages in pair and input.cpp

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This commit is contained in:
Jiancheng Chen
2022-08-18 21:08:36 +08:00
parent 5a10b09005
commit ff9c02f053
5 changed files with 38 additions and 38 deletions
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24
src/pair.cpp
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@ -159,57 +159,57 @@ Pair::~Pair()
void Pair::modify_params(int narg, char **arg)
{
if (narg == 0) error->all(FLERR,"Illegal pair_modify command");
if (narg == 0) utils::missing_cmd_args(FLERR, "pair_modify", error);
int iarg = 0;
while (iarg < narg) {
if (strcmp(arg[iarg],"mix") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal pair_modify command");
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "pair_modify mix", error);
if (strcmp(arg[iarg+1],"geometric") == 0) mix_flag = GEOMETRIC;
else if (strcmp(arg[iarg+1],"arithmetic") == 0) mix_flag = ARITHMETIC;
else if (strcmp(arg[iarg+1],"sixthpower") == 0) mix_flag = SIXTHPOWER;
else error->all(FLERR,"Illegal pair_modify command");
else error->all(FLERR,"Unknown pair_modify mix argument: {}", arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"shift") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal pair_modify command");
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "pair_modify shift", error);
offset_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
iarg += 2;
} else if (strcmp(arg[iarg],"table") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal pair_modify command");
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "pair_modify table", error);
ncoultablebits = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (ncoultablebits > (int)sizeof(float)*CHAR_BIT)
error->all(FLERR,"Too many total bits for bitmapped lookup table");
iarg += 2;
} else if (strcmp(arg[iarg],"table/disp") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal pair_modify command");
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "pair_modify table/disp", error);
ndisptablebits = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (ndisptablebits > (int)sizeof(float)*CHAR_BIT)
error->all(FLERR,"Too many total bits for bitmapped lookup table");
iarg += 2;
} else if (strcmp(arg[iarg],"tabinner") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal pair_modify command");
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "pair_modify tabinner", error);
tabinner = utils::numeric(FLERR,arg[iarg+1],false,lmp);
iarg += 2;
} else if (strcmp(arg[iarg],"tabinner/disp") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal pair_modify command");
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "pair_modify tabinner/disp", error);
tabinner_disp = utils::numeric(FLERR,arg[iarg+1],false,lmp);
iarg += 2;
} else if (strcmp(arg[iarg],"tail") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal pair_modify command");
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "pair_modify tail", error);
tail_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
iarg += 2;
} else if (strcmp(arg[iarg],"compute") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal pair_modify command");
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "pair_modify compute", error);
compute_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
iarg += 2;
} else if (strcmp(arg[iarg],"nofdotr") == 0) {
no_virial_fdotr_compute = 1;
++iarg;
} else if (strcmp(arg[iarg],"neigh/trim") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal pair_modify command");
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "pair_modify neigh/trim", error);
trim_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
iarg += 2;
} else error->all(FLERR,"Illegal pair_modify command");
} else error->all(FLERR,"Unknown pair_modify keyword: {}", arg[iarg]);
}
}