Merge branch 'master' into parse-logical-keyword

# Conflicts: # src/H5MD/dump_h5md.cpp
2021-09-29 23:05:59 -04:00
parent 422cab8878 c30ba70fab
commit 56cd66a6c3
114 changed files with 1399 additions and 450 deletions
--- a/src/REACTION/fix_bond_react.cpp
+++ b/src/REACTION/fix_bond_react.cpp
@ -910,7 +910,8 @@ 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;