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verlet_cuda.h
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Mon, Dec 2, 16:31
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Wed, Dec 4, 16:31 (1 d, 21 h)
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rLAMMPS lammps
verlet_cuda.h
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
Original Version:
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
See the README file in the top-level LAMMPS directory.
-----------------------------------------------------------------------
USER-CUDA Package and associated modifications:
https://sourceforge.net/projects/lammpscuda/
Christian Trott, christian.trott@tu-ilmenau.de
Lars Winterfeld, lars.winterfeld@tu-ilmenau.de
Theoretical Physics II, University of Technology Ilmenau, Germany
See the README file in the USER-CUDA directory.
This software is distributed under the GNU General Public License.
------------------------------------------------------------------------- */
#ifdef INTEGRATE_CLASS
IntegrateStyle(verlet/cuda,VerletCuda)
#else
#ifndef LMP_VERLET_CUDA_H
#define LMP_VERLET_CUDA_H
#include "verlet.h"
#include "modify_cuda.h"
namespace LAMMPS_NS {
class VerletCuda : public Verlet
{
public:
VerletCuda(class LAMMPS *, int, char **);
void setup();
void setup_minimal(int);
void run(int);
void test_atom(int atom,char* astring); //debugging purpose
int dotestatom; //debugging purpose
protected:
class Cuda *cuda;
void force_clear();
double time_pair;
double time_kspace;
double time_comm;
double time_modify;
double time_fulliterate;
ModifyCuda* modify_cuda;
};
}
#endif
#endif
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