From 8d69bd77eff5aa9269ec02c9e7b63cc417811567 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 19 Jun 2024 18:25:35 -0400 Subject: [PATCH] don't throw an error when reading QEq parameters from file --- src/REAXFF/fix_qeq_reaxff.cpp | 2 ++ 1 file changed, 2 insertions(+) diff --git a/src/REAXFF/fix_qeq_reaxff.cpp b/src/REAXFF/fix_qeq_reaxff.cpp index e6d5315823..7e935fd6cd 100644 --- a/src/REAXFF/fix_qeq_reaxff.cpp +++ b/src/REAXFF/fix_qeq_reaxff.cpp @@ -233,6 +233,8 @@ void FixQEqReaxFF::pertype_parameters(char *arg) return; } else if (utils::strmatch(arg,"^reax/c")) { error->all(FLERR, "Fix qeq/reaxff keyword 'reax/c' is obsolete; please use 'reaxff'"); + } else if (platform::file_is_readable(arg)) { + ; // arg is readable file. will read below } else { error->all(FLERR, "Unknown fix qeq/reaxff keyword {}", arg); }