From c28cf9f742e1f2ba7ad73cea9a3515ec6587fb4f Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sat, 4 May 2019 20:53:43 -0400 Subject: [PATCH] set variant flag in USER-INTEL (AI)REBO(-M) styles --- src/USER-INTEL/pair_airebo_morse_intel.cpp | 4 +++- src/USER-INTEL/pair_rebo_intel.cpp | 4 +++- 2 files changed, 6 insertions(+), 2 deletions(-) diff --git a/src/USER-INTEL/pair_airebo_morse_intel.cpp b/src/USER-INTEL/pair_airebo_morse_intel.cpp index 21de29e1a7..f68e299fa0 100644 --- a/src/USER-INTEL/pair_airebo_morse_intel.cpp +++ b/src/USER-INTEL/pair_airebo_morse_intel.cpp @@ -23,7 +23,9 @@ using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ PairAIREBOMorseIntel::PairAIREBOMorseIntel(LAMMPS *lmp) - : PairAIREBOIntel(lmp) {} + : PairAIREBOIntel(lmp) { + variant = AIREBO_M; +} /* ---------------------------------------------------------------------- global settings diff --git a/src/USER-INTEL/pair_rebo_intel.cpp b/src/USER-INTEL/pair_rebo_intel.cpp index e829b10ba1..d067005cfd 100644 --- a/src/USER-INTEL/pair_rebo_intel.cpp +++ b/src/USER-INTEL/pair_rebo_intel.cpp @@ -22,7 +22,9 @@ using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ -PairREBOIntel::PairREBOIntel(LAMMPS *lmp) : PairAIREBOIntel(lmp) {} +PairREBOIntel::PairREBOIntel(LAMMPS *lmp) : PairAIREBOIntel(lmp) { + variant = REBO_2; +} /* ---------------------------------------------------------------------- global settings