use ev_init for kspace

This commit is contained in:
Sebastian Hütter
2019-03-13 17:55:30 +01:00
parent ff2d8e55c9
commit 985fc86aa3
17 changed files with 20 additions and 49 deletions

View File

@ -199,9 +199,7 @@ void PPPMGPU::compute(int eflag, int vflag)
// set energy/virial flags
// invoke allocate_peratom() if needed for first time
if (eflag || vflag) ev_setup(eflag,vflag);
else evflag = evflag_atom = eflag_global = vflag_global =
eflag_atom = vflag_atom = 0;
ev_init(eflag,vflag);
// If need per-atom energies/virials, allocate per-atom arrays here
// so that particle map on host can be done concurrently with GPU calculations