From 6f0a56be5c8b63fd9199fb4eefd52d10ea120e18 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 8 Mar 2013 19:23:27 +0100 Subject: [PATCH] add support for per-atom virial --- src/USER-OMP/msm_omp.cpp | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/src/USER-OMP/msm_omp.cpp b/src/USER-OMP/msm_omp.cpp index 3b29196aca..bdeced526b 100644 --- a/src/USER-OMP/msm_omp.cpp +++ b/src/USER-OMP/msm_omp.cpp @@ -331,4 +331,9 @@ void MSMOMP::direct_eval(const int nn) virial[5] += v5; } } + + // compute per-atom virial (if requested) + + if (VFLAG_ATOM) + MSM::direct_peratom(n); }