This commit is contained in:
Axel Kohlmeyer
2024-02-03 17:47:00 -05:00
parent ac8f02ec5a
commit e5abfda823

View File

@ -270,7 +270,7 @@ void FixAdapt::post_constructor()
if (diam_flag && atom->radius_flag) {
id_fix_diam = utils::strdup(id + std::string("_FIX_STORE_DIAM"));
fix_diam = dynamic_cast<FixStoreAtom *>(
modify->add_fix(fmt::format("{} {} STORE/ATOM 1 0 0 1", id_fix_diam,group->names[igroup])));
modify->add_fix(fmt::format("{} {} STORE/ATOM 1 0 0 1", id_fix_diam, group->names[igroup])));
if (fix_diam->restart_reset) fix_diam->restart_reset = 0;
else {
double *vec = fix_diam->vstore;
@ -288,7 +288,7 @@ void FixAdapt::post_constructor()
if (chgflag && atom->q_flag) {
id_fix_chg = utils::strdup(id + std::string("_FIX_STORE_CHG"));
fix_chg = dynamic_cast<FixStoreAtom *>(
modify->add_fix(fmt::format("{} {} STORE/ATOM 1 0 0 1",id_fix_chg,group->names[igroup])));
modify->add_fix(fmt::format("{} {} STORE/ATOM 1 0 0 1", id_fix_chg, group->names[igroup])));
if (fix_chg->restart_reset) fix_chg->restart_reset = 0;
else {
double *vec = fix_chg->vstore;