Fall back to base class function
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@ -406,32 +406,6 @@ void MinKokkos::run(int n)
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lmp->kokkos->auto_sync = 1;
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lmp->kokkos->auto_sync = 1;
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}
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}
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/* ---------------------------------------------------------------------- */
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void MinKokkos::cleanup()
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{
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modify->post_run();
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// stats for Finish to print
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efinal = ecurrent;
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fnorm2_final = sqrt(fnorm_sqr());
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fnorminf_final = fnorm_inf();
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// reset reneighboring criteria
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neighbor->every = neigh_every;
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neighbor->delay = neigh_delay;
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neighbor->dist_check = neigh_dist_check;
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// delete fix at end of run, so its atom arrays won't persist
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modify->delete_fix("MINIMIZE");
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atomKK->sync(Host,ALL_MASK);
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domain->box_too_small_check(); /// need KK version
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atomKK->modified(Host,ALL_MASK);
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}
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/* ----------------------------------------------------------------------
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/* ----------------------------------------------------------------------
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evaluate potential energy and forces
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evaluate potential energy and forces
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may migrate atoms due to reneighboring
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may migrate atoms due to reneighboring
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@ -27,7 +27,6 @@ class MinKokkos : public Min {
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void setup(int flag=1);
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void setup(int flag=1);
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void setup_minimal(int);
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void setup_minimal(int);
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void run(int);
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void run(int);
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void cleanup();
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double fnorm_sqr();
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double fnorm_sqr();
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double fnorm_inf();
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double fnorm_inf();
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@ -34,7 +34,7 @@ class Min : protected Pointers {
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virtual void setup(int flag=1);
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virtual void setup(int flag=1);
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virtual void setup_minimal(int);
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virtual void setup_minimal(int);
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virtual void run(int);
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virtual void run(int);
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virtual void cleanup();
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void cleanup();
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int request(class Pair *, int, double);
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int request(class Pair *, int, double);
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virtual bigint memory_usage() {return 0;}
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virtual bigint memory_usage() {return 0;}
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void modify_params(int, char **);
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void modify_params(int, char **);
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