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improve error messages in change_box,create_box,domain,input,lattice and neighbor.cpp

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This commit is contained in:
Jiancheng Chen
2022-08-18 11:22:36 +08:00
parent 180e0125ce
commit 9beb60c713
6 changed files with 69 additions and 64 deletions
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22
src/create_box.cpp
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@ -35,7 +35,7 @@ CreateBox::CreateBox(LAMMPS *lmp) : Command(lmp) {}
void CreateBox::command(int narg, char **arg)
{
if (narg < 2) error->all(FLERR, "Illegal create_box command");
if (narg < 2) utils::missing_cmd_args(FLERR, "create_box", error);
if (domain->box_exist) error->all(FLERR, "Cannot create_box after simulation box is defined");
if (domain->dimension == 2 && domain->zperiodic == 0)
@ -107,56 +107,56 @@ void CreateBox::command(int narg, char **arg)
int iarg = 2;
while (iarg < narg) {
if (strcmp(arg[iarg], "bond/types") == 0) {
if (iarg + 2 > narg) error->all(FLERR, "Illegal create_box command");
if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "create_box bond/type", error);
if (!atom->avec->bonds_allow) error->all(FLERR, "No bonds allowed with this atom style");
atom->nbondtypes = utils::inumeric(FLERR, arg[iarg + 1], false, lmp);
iarg += 2;
} else if (strcmp(arg[iarg], "angle/types") == 0) {
if (iarg + 2 > narg) error->all(FLERR, "Illegal create_box command");
if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "create_box angle/types", error);
if (!atom->avec->angles_allow) error->all(FLERR, "No angles allowed with this atom style");
atom->nangletypes = utils::inumeric(FLERR, arg[iarg + 1], false, lmp);
iarg += 2;
} else if (strcmp(arg[iarg], "dihedral/types") == 0) {
if (iarg + 2 > narg) error->all(FLERR, "Illegal create_box command");
if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "create_box dihedral/types", error);
if (!atom->avec->dihedrals_allow)
error->all(FLERR, "No dihedrals allowed with this atom style");
atom->ndihedraltypes = utils::inumeric(FLERR, arg[iarg + 1], false, lmp);
iarg += 2;
} else if (strcmp(arg[iarg], "improper/types") == 0) {
if (iarg + 2 > narg) error->all(FLERR, "Illegal create_box command");
if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "create_box improper/types", error);
if (!atom->avec->impropers_allow)
error->all(FLERR, "No impropers allowed with this atom style");
atom->nimpropertypes = utils::inumeric(FLERR, arg[iarg + 1], false, lmp);
iarg += 2;
} else if (strcmp(arg[iarg], "extra/bond/per/atom") == 0) {
if (iarg + 2 > narg) error->all(FLERR, "Illegal create_box command");
if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "create_box extra/bond/per/atom", error);
if (!atom->avec->bonds_allow) error->all(FLERR, "No bonds allowed with this atom style");
atom->bond_per_atom = utils::inumeric(FLERR, arg[iarg + 1], false, lmp);
iarg += 2;
} else if (strcmp(arg[iarg], "extra/angle/per/atom") == 0) {
if (iarg + 2 > narg) error->all(FLERR, "Illegal create_box command");
if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "create_box extra/angle/per/atom", error);
if (!atom->avec->angles_allow) error->all(FLERR, "No angles allowed with this atom style");
atom->angle_per_atom = utils::inumeric(FLERR, arg[iarg + 1], false, lmp);
iarg += 2;
} else if (strcmp(arg[iarg], "extra/dihedral/per/atom") == 0) {
if (iarg + 2 > narg) error->all(FLERR, "Illegal create_box command");
if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "create_box extra/dihedral/per/atom", error);
if (!atom->avec->dihedrals_allow)
error->all(FLERR, "No dihedrals allowed with this atom style");
atom->dihedral_per_atom = utils::inumeric(FLERR, arg[iarg + 1], false, lmp);
iarg += 2;
} else if (strcmp(arg[iarg], "extra/improper/per/atom") == 0) {
if (iarg + 2 > narg) error->all(FLERR, "Illegal create_box command");
if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "create_box extra/improper/per/atom", error);
if (!atom->avec->impropers_allow)
error->all(FLERR, "No impropers allowed with this atom style");
atom->improper_per_atom = utils::inumeric(FLERR, arg[iarg + 1], false, lmp);
iarg += 2;
} else if (strcmp(arg[iarg], "extra/special/per/atom") == 0) {
if (iarg + 2 > narg) error->all(FLERR, "Illegal create_box command");
if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "create_box extra/special/per/atom", error);
force->special_extra = utils::inumeric(FLERR, arg[iarg + 1], false, lmp);
atom->maxspecial += force->special_extra;
iarg += 2;
} else
error->all(FLERR, "Illegal create_box command");
error->all(FLERR, "Unknown create_box keyword: {}", arg[iarg]);
}
// problem setup using info from header