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lammps/src/USER-CUDA/fix_aveforce_cuda.h
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fix_aveforce_cuda.h
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/* -*- c++ -*- ----------------------------------------------------------
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 FIX_CLASS
FixStyle(aveforce/cuda,FixAveForceCuda)
#else
#ifndef LMP_FIX_AVE_FORCE_CUDA_H
#define LMP_FIX_AVE_FORCE_CUDA_H
#include "fix.h"
#include "cuda_data.h"
namespace LAMMPS_NS {
class FixAveForceCuda : public Fix {
public:
FixAveForceCuda(class LAMMPS *, int, char **);
~FixAveForceCuda();
int setmask();
void init();
void setup(int);
void min_setup(int);
void post_force(int);
void post_force_respa(int, int, int);
void min_post_force(int);
double compute_vector(int);
private:
class Cuda *cuda;
char *xstr,*ystr,*zstr;
int iregion;
double xvalue,yvalue,zvalue;
double foriginal_all[4];
double foriginal[4];
cCudaData<double , F_CFLOAT , x>* cu_foriginal;
int nlevels_respa;
int varflag;
int xvar,yvar,zvar,xstyle,ystyle,zstyle;
};
}
#endif
#endif
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