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pair_buck_coul_msm_omp.h
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Mon, Sep 2, 03:01
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rLAMMPS lammps
pair_buck_coul_msm_omp.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 author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#ifdef PAIR_CLASS
PairStyle
(
buck
/
coul
/
msm
/
omp
,
PairBuckCoulMSMOMP
)
#else
#ifndef LMP_PAIR_BUCK_COUL_MSM_OMP_H
#define LMP_PAIR_BUCK_COUL_MSM_OMP_H
#include "pair_buck_coul_msm.h"
#include "thr_omp.h"
namespace
LAMMPS_NS
{
class
PairBuckCoulMSMOMP
:
public
PairBuckCoulMSM
,
public
ThrOMP
{
public:
PairBuckCoulMSMOMP
(
class
LAMMPS
*
);
virtual
void
compute
(
int
,
int
);
virtual
double
memory_usage
();
private:
template
<
int
EVFLAG
,
int
EFLAG
,
int
NEWTON_PAIR
>
void
eval
(
int
ifrom
,
int
ito
,
ThrData
*
const
thr
);
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Must use 'kspace_modify pressure/scalar no' with OMP MSM Pair styles
The kspace scalar pressure option is not (yet) compatible with OMP MSM Pair styles.
*/
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