use ev_init for angles

2019-03-13 17:51:41 +01:00
parent c7af948dfc
commit 6e6f903818
43 changed files with 46 additions and 114 deletions
--- a/src/CLASS2/angle_class2.cpp
+++ b/src/CLASS2/angle_class2.cpp
@ -78,8 +78,7 @@ void AngleClass2::compute(int eflag, int vflag)
  double vx11,vx12,vy11,vy12,vz11,vz12,vx21,vx22,vy21,vy22,vz21,vz22;

  eangle = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);

  double **x = atom->x;
  double **f = atom->f;