Commit c24486c8 authored by Stan Moore's avatar Stan Moore
Browse files

Fall back to base class function

parent 99612292
Loading
Loading
Loading
Loading
+0 −26
Original line number Diff line number Diff line
@@ -406,32 +406,6 @@ void MinKokkos::run(int n)
  lmp->kokkos->auto_sync = 1;
}

/* ---------------------------------------------------------------------- */

void MinKokkos::cleanup()
{
  modify->post_run();

  // stats for Finish to print

  efinal = ecurrent;
  fnorm2_final = sqrt(fnorm_sqr());
  fnorminf_final = fnorm_inf();

  // reset reneighboring criteria

  neighbor->every = neigh_every;
  neighbor->delay = neigh_delay;
  neighbor->dist_check = neigh_dist_check;

  // delete fix at end of run, so its atom arrays won't persist

  modify->delete_fix("MINIMIZE");
  atomKK->sync(Host,ALL_MASK);
  domain->box_too_small_check(); /// need KK version
  atomKK->modified(Host,ALL_MASK);
}

/* ----------------------------------------------------------------------
   evaluate potential energy and forces
   may migrate atoms due to reneighboring
+0 −1
Original line number Diff line number Diff line
@@ -27,7 +27,6 @@ class MinKokkos : public Min {
  void setup(int flag=1);
  void setup_minimal(int);
  void run(int);
  void cleanup();
  double fnorm_sqr();
  double fnorm_inf();

+1 −1
Original line number Diff line number Diff line
@@ -34,7 +34,7 @@ class Min : protected Pointers {
  virtual void setup(int flag=1);
  virtual void setup_minimal(int);
  virtual void run(int);
  virtual void cleanup();
  void cleanup();
  int request(class Pair *, int, double);
  virtual bigint memory_usage() {return 0;}
  void modify_params(int, char **);