54 lines
1.4 KiB
C++
54 lines
1.4 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
|
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
|
https://www.lammps.org/, Sandia National Laboratories
|
|
LAMMPS development team: developers@lammps.org
|
|
|
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
|
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
|
certain rights in this software. This software is distributed under
|
|
the GNU General Public License.
|
|
|
|
See the README file in the top-level LAMMPS directory.
|
|
------------------------------------------------------------------------- */
|
|
|
|
#ifdef FIX_CLASS
|
|
// clang-format off
|
|
FixStyle(GPU,FixGPU);
|
|
// clang-format on
|
|
#else
|
|
|
|
#ifndef LMP_FIX_GPU_H
|
|
#define LMP_FIX_GPU_H
|
|
|
|
#include "fix.h"
|
|
|
|
namespace LAMMPS_NS {
|
|
|
|
class FixGPU : public Fix {
|
|
public:
|
|
FixGPU(class LAMMPS *, int, char **);
|
|
~FixGPU() override;
|
|
int setmask() override;
|
|
void init() override;
|
|
void setup(int) override;
|
|
void min_setup(int) override;
|
|
void post_force(int) override;
|
|
void min_post_force(int) override;
|
|
void post_force_respa(int, int, int) override;
|
|
double memory_usage() override;
|
|
|
|
double binsize(const double subx, const double suby, const double subz, const int nlocal,
|
|
const double cut);
|
|
|
|
private:
|
|
int _gpu_mode;
|
|
int _nlevels_respa;
|
|
double _particle_split;
|
|
double _binsize;
|
|
};
|
|
|
|
} // namespace LAMMPS_NS
|
|
|
|
#endif
|
|
#endif
|