make Nevery keyword per-reaction

2021-09-29 14:40:22 -04:00
parent 9e49a934c2
commit a5ed701908
1 changed files with 2 additions and 1 deletions
--- a/src/REACTION/fix_bond_react.cpp
+++ b/src/REACTION/fix_bond_react.cpp
@ -914,7 +914,8 @@ void FixBondReact::post_integrate()

  int j;
  for (rxnID = 0; rxnID < nreacts; rxnID++) {
-    if (max_rxn[rxnID] <= reaction_count_total[rxnID]) continue;
+    if ((update->ntimestep % nevery[rxnID]) ||
+        (max_rxn[rxnID] <= reaction_count_total[rxnID])) continue;
    for (int ii = 0; ii < nall; ii++) {
      partner[ii] = 0;
      finalpartner[ii] = 0;