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modify_kokkos.h
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Fri, Oct 4, 07:17
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rLAMMPS lammps
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
initial_integrate
(
int
);
void
post_integrate
();
void
pre_decide
();
void
pre_exchange
();
void
pre_neighbor
();
void
pre_force
(
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_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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