round up 'nevery' variable eval

2020-04-26 12:45:42 -06:00
parent a614242595
commit 6baca04447
1 changed files with 1 additions and 1 deletions
--- a/src/USER-REACTION/fix_bond_react.cpp
+++ b/src/USER-REACTION/fix_bond_react.cpp
@ -797,7 +797,7 @@ void FixBondReact::post_integrate()
  int nevery_check = 1;
  for (int i = 0; i < nreacts; i++) {
    if (var_flag[NEVERY][i])
-      nevery[i] = input->variable->compute_equal(var_id[NEVERY][i]);
+      nevery[i] = ceil(input->variable->compute_equal(var_id[NEVERY][i]));
    if (nevery[i] <= 0)
      error->all(FLERR,"Illegal fix bond/react command: "
                       "'Nevery' must be a positive integer");