From f95aaf58989d1ba63ae6d5b80cc47322ccafe5ba Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 23 Mar 2022 15:15:51 -0400 Subject: [PATCH] update settings --- src/MANYBODY/pair_meam_spline.cpp | 2 ++ 1 file changed, 2 insertions(+) diff --git a/src/MANYBODY/pair_meam_spline.cpp b/src/MANYBODY/pair_meam_spline.cpp index 7d38ee446e..033cce51b0 100644 --- a/src/MANYBODY/pair_meam_spline.cpp +++ b/src/MANYBODY/pair_meam_spline.cpp @@ -56,6 +56,8 @@ PairMEAMSpline::PairMEAMSpline(LAMMPS *lmp) : Pair(lmp) single_enable = 0; restartinfo = 0; one_coeff = 1; + manybody_flag = 1; + centroidstressflag = CENTROID_NOTAVAIL; Uprime_values = nullptr; nmax = 0;