use ev_init for impropers

2019-03-13 17:50:50 +01:00
parent 17c81295c2
commit c7af948dfc
25 changed files with 28 additions and 62 deletions
--- a/src/improper_hybrid.cpp
+++ b/src/improper_hybrid.cpp
@ -104,8 +104,7 @@ void ImproperHybrid::compute(int eflag, int vflag)
  // set neighbor->improperlist to sub-style improperlist before call
  // accumulate sub-style global/peratom energy/virial in hybrid

-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = eflag_global = vflag_global = eflag_atom = vflag_atom = 0;
+  ev_init(eflag,vflag);

  for (m = 0; m < nstyles; m++) {
    neighbor->nimproperlist = nimproperlist[m];