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pair_lj_charmm_coul_charmm_implicit_omp.h
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Created
Sat, Sep 14, 16:37
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text/x-c
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Mon, Sep 16, 16:37 (1 d, 23 h)
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rLAMMPS lammps
pair_lj_charmm_coul_charmm_implicit_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.
------------------------------------------------------------------------- */
#ifdef PAIR_CLASS
PairStyle
(
lj
/
charmm
/
coul
/
charmm
/
implicit
/
omp
,
PairLJCharmmCoulCharmmImplicitOMP
)
#else
#ifndef LMP_PAIR_LJ_CHARMM_COUL_CHARMM_IMPLICIT_OMP_H
#define LMP_PAIR_LJ_CHARMM_COUL_CHARMM_IMPLICIT_OMP_H
#include "pair_lj_charmm_coul_charmm_omp.h"
namespace
LAMMPS_NS
{
class
PairLJCharmmCoulCharmmImplicitOMP
:
public
PairLJCharmmCoulCharmmOMP
{
public:
PairLJCharmmCoulCharmmImplicitOMP
(
class
LAMMPS
*
);
virtual
void
compute
(
int
,
int
);
virtual
double
single
(
int
,
int
,
int
,
int
,
double
,
double
,
double
,
double
&
);
virtual
void
*
extract
(
char
*
);
protected:
template
<
int
EVFLAG
,
int
EFLAG
,
int
NEWTON_PAIR
>
void
eval
();
};
}
#endif
#endif
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