use ev_init for dihedrals

2019-03-13 17:53:22 +01:00
parent 6e6f903818
commit fbd600592b
35 changed files with 38 additions and 94 deletions
--- a/src/USER-MISC/dihedral_quadratic.cpp
+++ b/src/USER-MISC/dihedral_quadratic.cpp
@ -65,8 +65,7 @@ void DihedralQuadratic::compute(int eflag, int vflag)
  double s2,cx,cy,cz,cmag,dx,phi,si,siinv,sin2;

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

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