52 lines
1.6 KiB
C++
52 lines
1.6 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: Mitch Murphy (alphataubio at gmail)
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------------------------------------------------------------------------- */
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#include "fix_colvars_kokkos.h"
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#include "atom_kokkos.h"
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#include "atom_masks.h"
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using namespace LAMMPS_NS;
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FixColvarsKokkos::FixColvarsKokkos(LAMMPS *lmp, int narg, char **arg) :
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FixColvars(lmp, narg, arg)
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{
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kokkosable = 1;
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atomKK = (AtomKokkos *)atom;
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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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void FixColvarsKokkos::post_force(int vflag)
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{
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atomKK->sync(Host,X_MASK|F_MASK|TAG_MASK|IMAGE_MASK);
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FixColvars::post_force(vflag);
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atomKK->modified(Host,F_MASK);
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}
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/* ---------------------------------------------------------------------- */
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void FixColvarsKokkos::end_of_step()
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{
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if (store_forces) {
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atomKK->sync(Host,F_MASK|TAG_MASK);
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FixColvars::end_of_step();
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}
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}
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