Commit ff2d8e55 authored by Sebastian Hütter's avatar Sebastian Hütter
Browse files

use ev_init for bonds

parent fbd60059

src/CLASS2/bond_class2.cpp

+1 −2
Original line number Diff line number Diff line
@@ -56,8 +56,7 @@ void BondClass2::compute(int eflag, int vflag) 
  double rsq,r,dr,dr2,dr3,dr4,de_bond;



  ebond = 0.0;

  if (eflag || vflag) ev_setup(eflag,vflag);

  else evflag = 0;

  ev_init(eflag,vflag);



  double **x = atom->x;

  double **f = atom->f;

src/KOKKOS/bond_class2_kokkos.cpp

+1 −2
Original line number Diff line number Diff line
@@ -60,8 +60,7 @@ void BondClass2Kokkos<DeviceType>::compute(int eflag_in, int vflag_in) 
  eflag = eflag_in;

  vflag = vflag_in;



  if (eflag || vflag) ev_setup(eflag,vflag,0);

  else evflag = 0;

  ev_init(eflag,vflag,0);



  // reallocate per-atom arrays if necessary

src/KOKKOS/bond_fene_kokkos.cpp

+1 −2
Original line number Diff line number Diff line
@@ -69,8 +69,7 @@ void BondFENEKokkos<DeviceType>::compute(int eflag_in, int vflag_in) 
  eflag = eflag_in;

  vflag = vflag_in;



  if (eflag || vflag) ev_setup(eflag,vflag,0);

  else evflag = 0;

  ev_init(eflag,vflag,0);



  // reallocate per-atom arrays if necessary

src/KOKKOS/bond_harmonic_kokkos.cpp

+1 −2
Original line number Diff line number Diff line
@@ -61,8 +61,7 @@ void BondHarmonicKokkos<DeviceType>::compute(int eflag_in, int vflag_in) 
  eflag = eflag_in;

  vflag = vflag_in;



  if (eflag || vflag) ev_setup(eflag,vflag,0);

  else evflag = 0;

  ev_init(eflag,vflag,0);



  // reallocate per-atom arrays if necessary

src/MOLECULE/bond_fene.cpp

+1 −2
Original line number Diff line number Diff line
@@ -54,8 +54,7 @@ void BondFENE::compute(int eflag, int vflag) 
  double rsq,r0sq,rlogarg,sr2,sr6;



  ebond = sr6 = 0.0;

  if (eflag || vflag) ev_setup(eflag,vflag);

  else evflag = 0;

  ev_init(eflag,vflag);



  double **x = atom->x;

  double **f = atom->f;

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