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dihedral_cosine_shift_exp_omp.h
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Wed, Aug 28, 02:50
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Fri, Aug 30, 02:50 (2 d)
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rLAMMPS lammps
dihedral_cosine_shift_exp_omp.h
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/* ----------------------------------------------------------------------
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 author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#ifdef DIHEDRAL_CLASS
DihedralStyle
(
cosine
/
shift
/
exp
/
omp
,
DihedralCosineShiftExpOMP
)
#else
#ifndef LMP_DIHEDRAL_COSINE_SHIFT_EXP_OMP_H
#define LMP_DIHEDRAL_COSINE_SHIFT_EXP_OMP_H
#include "dihedral_cosine_shift_exp.h"
#include "thr_omp.h"
namespace
LAMMPS_NS
{
class
DihedralCosineShiftExpOMP
:
public
DihedralCosineShiftExp
,
public
ThrOMP
{
public:
DihedralCosineShiftExpOMP
(
class
LAMMPS
*
lmp
)
:
DihedralCosineShiftExp
(
lmp
),
ThrOMP
(
lmp
,
THR_DIHEDRAL
)
{};
virtual
void
compute
(
int
,
int
);
private:
template
<
int
EVFLAG
,
int
EFLAG
,
int
NEWTON_BOND
>
void
eval
(
int
ifrom
,
int
ito
,
ThrData
*
const
thr
);
};
}
#endif
#endif
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