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lammps/src/KOKKOS/modify_kokkos.h
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modify_kokkos.h
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/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
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.
------------------------------------------------------------------------- */
#ifndef LMP_MODIFY_KOKKOS_H
#define LMP_MODIFY_KOKKOS_H
#include "modify.h"
namespace LAMMPS_NS {
class ModifyKokkos : public Modify {
public:
ModifyKokkos(class LAMMPS *);
~ModifyKokkos() {}
void setup(int);
void setup_pre_exchange();
void setup_pre_neighbor();
void setup_pre_force(int);
void setup_pre_reverse(int, int);
void initial_integrate(int);
void post_integrate();
void pre_decide();
void pre_exchange();
void pre_neighbor();
void pre_force(int);
void pre_reverse(int,int);
void post_force(int);
void final_integrate();
void end_of_step();
double thermo_energy();
void post_run();
void setup_pre_force_respa(int, int);
void initial_integrate_respa(int, int, int);
void post_integrate_respa(int, int);
void pre_force_respa(int, int, int);
void post_force_respa(int, int, int);
void final_integrate_respa(int, int);
void min_pre_exchange();
void min_pre_neighbor();
void min_pre_force(int);
void min_pre_reverse(int,int);
void min_post_force(int);
double min_energy(double *);
void min_store();
void min_step(double, double *);
void min_clearstore();
void min_pushstore();
void min_popstore();
double max_alpha(double *);
int min_dof();
int min_reset_ref();
protected:
};
}
#endif
/* ERROR/WARNING messages:
*/
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