git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9604 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-03-07 17:32:03 +00:00
parent 3d25c94f33
commit 91b7613960
4 changed files with 11 additions and 1 deletions
--- a/src/verlet.cpp
+++ b/src/verlet.cpp
@ -263,6 +263,9 @@ void Verlet::run(int n)
    }

    // force computations
+    // important for pair to come before bonded contributions
+    // since some bonded potentials tally pairwise energy/virial
+    // and Pair:ev_tally() needs to be called before any tallying

    force_clear();
    if (n_pre_force) modify->pre_force(vflag);