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some more atom info in "info system"

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This commit is contained in:
Axel Kohlmeyer
2024-08-08 11:22:02 -04:00
parent 6f3056511b
commit dbf9c75509
1 changed files with 6 additions and 0 deletions
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6
src/info.cpp
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@ -417,6 +417,12 @@ void Info::command(int narg, char **arg)
fmt::print(out,"Atoms = {:12}, types = {:8d}, style = {}\n",
atom->natoms, atom->ntypes, force->pair_style);
if (atom->tag_enable) fmt::print(out,"Atoms with atom IDs\n");
if (atom->molecule) fmt::print(out,"Atoms with molecule IDs\n");
if (atom->mass) fmt::print(out,"Atoms with per-type masses\n");
if (atom->rmass) fmt::print(out,"Atoms with per-atom masses\n");
if (atom->q) fmt::print(out,"Atoms with per-atom charges\n");
if (force->pair && utils::strmatch(force->pair_style,"^hybrid")) {
auto hybrid = dynamic_cast<PairHybrid *>(force->pair);
fmt::print(out,"Hybrid sub-styles:");