add support for per-atom virial

2013-03-08 19:23:27 +01:00
parent 8861fa1340
commit 6f0a56be5c
1 changed files with 5 additions and 0 deletions
--- 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);
 }