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new fix wall/gran/region command, REBO bug fix, new example log files

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This commit is contained in:
Steve Plimpton
2016-10-06 15:47:41 -06:00
parent c213457550
commit b3d2fb91bb
63 changed files with 6354 additions and 490 deletions
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5
src/special.cpp
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@ -23,6 +23,7 @@
#include "accelerator_kokkos.h"
#include "memory.h"
#include "error.h"
#include "atom_masks.h"
using namespace LAMMPS_NS;
@ -588,8 +589,12 @@ void Special::combine()
if (lmp->kokkos) {
AtomKokkos* atomKK = (AtomKokkos*) atom;
atomKK->modified(Host,SPECIAL_MASK);
atomKK->sync(Device,SPECIAL_MASK);
memory->grow_kokkos(atomKK->k_special,atom->special,
atom->nmax,atom->maxspecial,"atom:special");
atomKK->modified(Device,SPECIAL_MASK);
atomKK->sync(Host,SPECIAL_MASK);
} else {
memory->destroy(atom->special);
memory->create(atom->special,atom->nmax,atom->maxspecial,"atom:special");