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F81172012
pppm_intel.h
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Wed, Sep 4, 13:54
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Fri, Sep 6, 13:54 (2 d)
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rLAMMPS lammps
pppm_intel.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.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing authors: Rodrigo Canales (RWTH Aachen University)
W. Michael Brown (Intel)
------------------------------------------------------------------------- */
#ifdef KSPACE_CLASS
KSpaceStyle
(
pppm
/
intel
,
PPPMIntel
)
#else
#ifndef LMP_PPPMINTEL_H
#define LMP_PPPMINTEL_H
#include "pppm.h"
#include "fix_intel.h"
namespace
LAMMPS_NS
{
class
PPPMIntel
:
public
PPPM
{
public:
PPPMIntel
(
class
LAMMPS
*
,
int
,
char
**
);
virtual
~
PPPMIntel
();
virtual
void
init
();
virtual
void
compute
(
int
,
int
);
void
compute_first
(
int
,
int
);
void
compute_second
(
int
,
int
);
void
pack_buffers
();
#ifdef _LMP_INTEL_OFFLOAD
int
use_base
();
#endif
protected:
FixIntel
*
fix
;
#ifdef _LMP_INTEL_OFFLOAD
int
_use_base
;
#endif
template
<
class
flt_t
,
class
acc_t
>
void
particle_map
(
IntelBuffers
<
flt_t
,
acc_t
>
*
buffers
);
template
<
class
flt_t
,
class
acc_t
>
void
make_rho
(
IntelBuffers
<
flt_t
,
acc_t
>
*
buffers
);
template
<
class
flt_t
,
class
acc_t
>
void
fieldforce_ik
(
IntelBuffers
<
flt_t
,
acc_t
>
*
buffers
);
template
<
class
flt_t
,
class
acc_t
>
void
fieldforce_ad
(
IntelBuffers
<
flt_t
,
acc_t
>
*
buffers
);
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: PPPM order greater than supported by USER-INTEL
There is a compile time limit on the maximum order for PPPM
in the USER-INTEL package that might be different from LAMMPS
*/
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