62 lines
2.2 KiB
C++
62 lines
2.2 KiB
C++
// clang-format off
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/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/, Sandia National Laboratories
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LAMMPS development team: developers@lammps.org
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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/* ----------------------------------------------------------------------
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Contributing author: Pieter in 't Veld (SNL)
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Refactoring (2024/08): Mitch Murphy (alphataubio@gmail.com)
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------------------------------------------------------------------------- */
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#include "fix_deform_kokkos.h"
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#include "atom_kokkos.h"
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#include "atom_masks.h"
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#include "domain_kokkos.h"
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using namespace LAMMPS_NS;
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/* ---------------------------------------------------------------------- */
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FixDeformKokkos::FixDeformKokkos(LAMMPS *lmp, int narg, char **arg) : FixDeform(lmp, narg, arg)
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{
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kokkosable = 1;
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datamask_read = EMPTY_MASK;
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datamask_modify = EMPTY_MASK;
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}
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/* ----------------------------------------------------------------------
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box flipped on previous step
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reset box tilts for flipped config and create new box in domain
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image_flip() adjusts image flags due to box shape change induced by flip
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remap() puts atoms outside the new box back into the new box
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perform irregular on atoms in lamda coords to migrate atoms to new procs
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important that image_flip comes before remap, since remap may change
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image flags to new values, making eqs in doc of Domain:image_flip incorrect
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------------------------------------------------------------------------- */
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void FixDeformKokkos::pre_exchange()
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{
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atomKK->sync(Host,ALL_MASK);
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FixDeform::pre_exchange();
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atomKK->modified(Host,ALL_MASK);
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}
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/* ---------------------------------------------------------------------- */
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void FixDeformKokkos::end_of_step()
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{
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atomKK->sync(Host,ALL_MASK);
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FixDeform::end_of_step();
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atomKK->modified(Host,ALL_MASK);
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}
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