From dbf9c75509b4daafadb1014ee2a923a0da0696c3 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 8 Aug 2024 11:22:02 -0400 Subject: [PATCH] some more atom info in "info system" --- src/info.cpp | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/src/info.cpp b/src/info.cpp index 0959d53e64..29d69fb823 100644 --- a/src/info.cpp +++ b/src/info.cpp @@ -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(force->pair); fmt::print(out,"Hybrid sub-styles:");