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modernize and simplify

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This commit is contained in:
Axel Kohlmeyer
2022-08-11 03:45:36 -04:00
parent aab62d5ed9
commit 91b98484ad
4 changed files with 41 additions and 68 deletions
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25
src/group.cpp
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@ -101,22 +101,21 @@ void Group::assign(int narg, char **arg)
// clear mask of each atom assigned to this group
if (strcmp(arg[1],"delete") == 0) {
if (narg != 2) error->all(FLERR,"Illegal group command");
if (narg != 2) error->all(FLERR,"Illegal group command: too many arguments");
int igroup = find(arg[0]);
if (igroup == -1) error->all(FLERR,"Could not find group delete group ID");
if (igroup == -1) error->all(FLERR,"Could not find group delete group ID {}",arg[0]);
if (igroup == 0) error->all(FLERR,"Cannot delete group all");
for (const auto &fix : modify->get_fix_list())
if (fix->igroup == igroup)
error->all(FLERR,"Cannot delete group currently used by a fix");
for (i = 0; i < modify->ncompute; i++)
if (modify->compute[i]->igroup == igroup)
error->all(FLERR,"Cannot delete group currently used by a compute");
for (i = 0; i < output->ndump; i++)
if (output->dump[i]->igroup == igroup)
error->all(FLERR,"Cannot delete group currently used by a dump");
for (const auto &i : modify->get_fix_list())
if (i->igroup == igroup)
error->all(FLERR,"Cannot delete group {} currently used by fix ID {}",arg[0],i->id);
for (const auto &i : modify->get_compute_list())
if (i->igroup == igroup)
error->all(FLERR,"Cannot delete group {} currently used by compute ID {}",arg[0],i->id);
for (const auto &i : output->get_dump_list())
if (i->igroup == igroup)
error->all(FLERR,"Cannot delete group {} currently used by dump ID {}",arg[0],i->id);
if (atom->firstgroupname && strcmp(arg[0],atom->firstgroupname) == 0)
error->all(FLERR,
"Cannot delete group currently used by atom_modify first");
error->all(FLERR,"Cannot delete group {} currently used by atom_modify first",arg[0]);
int *mask = atom->mask;
int nlocal = atom->nlocal;