51 lines
1.4 KiB
C++
51 lines
1.4 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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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: W. Michael Brown (Intel)
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------------------------------------------------------------------------- */
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#ifdef FIX_CLASS
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// clang-format off
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FixStyle(nve/gpu,FixNVEGPU);
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// clang-format on
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#else
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#ifndef LMP_FIX_NVE_GPU_H
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#define LMP_FIX_NVE_GPU_H
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#include "fix_nve.h"
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namespace LAMMPS_NS {
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class FixNVEGPU : public FixNVE {
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public:
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FixNVEGPU(class LAMMPS *, int, char **);
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~FixNVEGPU() override;
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void setup(int) override;
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void initial_integrate(int) override;
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void final_integrate() override;
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void reset_dt() override;
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double memory_usage() override;
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protected:
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void reset_dt_omp(const int, const int, const int);
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double *_dtfm;
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int _nlocal_max, _respa_on;
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};
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} // namespace LAMMPS_NS
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#endif
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#endif
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