energy/virial flags with CENTROID enum

2020-11-18 12:17:14 -07:00
parent 35035189e6
commit 0876684780
74 changed files with 362 additions and 262 deletions
--- a/src/pair_coul_wolf.cpp
+++ b/src/pair_coul_wolf.cpp
@ -36,7 +36,6 @@ using namespace MathConst;
 PairCoulWolf::PairCoulWolf(LAMMPS *lmp) : Pair(lmp)
 {
  single_enable = 0;        // NOTE: single() method below is not yet correct
-  centroidstressflag = CENTROID_SAME;
 }

 /* ---------------------------------------------------------------------- */