From cdeaa83f6db4f2b8f40c323c7c8a49de2b3cf2e2 Mon Sep 17 00:00:00 2001 From: Stan Gerald Moore Date: Fri, 4 Mar 2022 12:34:51 -0700 Subject: [PATCH] Make it easier to enable tabulation in ReaxFF --- src/REAXFF/pair_reaxff.cpp | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/src/REAXFF/pair_reaxff.cpp b/src/REAXFF/pair_reaxff.cpp index 39b6221d3d..3ed197cf1e 100644 --- a/src/REAXFF/pair_reaxff.cpp +++ b/src/REAXFF/pair_reaxff.cpp @@ -263,6 +263,10 @@ void PairReaxFF::settings(int narg, char **arg) if (iarg+2 > narg) error->all(FLERR,"Illegal pair_style reaxff command"); list_blocking_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); iarg += 2; + } else if (strcmp(arg[iarg],"tabulate") == 0) { + if (iarg+2 > narg) error->all(FLERR,"Illegal pair_style reaxff command"); + api->control->tabulate = utils::inumeric(FLERR,arg[iarg+1],false,lmp); + iarg += 2; } else error->all(FLERR,"Illegal pair_style reaxff command"); } }