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/USER-MISC/pair_tersoff_table.cpp
+++ b/src/USER-MISC/pair_tersoff_table.cpp
@ -61,6 +61,7 @@ PairTersoffTable::PairTersoffTable(LAMMPS *lmp) : Pair(lmp)
  restartinfo = 0;
  one_coeff = 1;
  manybody_flag = 1;
+  centroidstressflag = CENTROID_NOTAVAIL;
  unit_convert_flag = utils::get_supported_conversions(utils::ENERGY);

  nelements = 0;