Merge with current master

2019-04-03 19:17:15 +02:00
parent d7a5bf4e16 f73ccc3025
commit 501558743b
831 changed files with 15054 additions and 8897 deletions
--- a/src/USER-REAXC/pair_reaxc.cpp
+++ b/src/USER-REAXC/pair_reaxc.cpp
@ -502,8 +502,7 @@ void PairReaxC::compute(int eflag, int vflag)
  int *num_hbonds = fix_reax->num_hbonds;

  evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else ev_unset();
+  ev_init(eflag,vflag);

  if (vflag_global) control->virial = 1;
  else control->virial = 0;