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fix_langevin_eff.h
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Created
Thu, Jun 27, 11:57
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1 KB
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text/x-c
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Sat, Jun 29, 11:57 (2 d)
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blob
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18403718
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rLAMMPS lammps
fix_langevin_eff.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 FIX_CLASS
FixStyle
(
langevin
/
eff
,
FixLangevinEff
)
#else
#ifndef LMP_FIX_LANGEVIN_EFF_H
#define LMP_FIX_LANGEVIN_EFF_H
#include "fix_langevin.h"
namespace
LAMMPS_NS
{
class
FixLangevinEff
:
public
FixLangevin
{
public:
FixLangevinEff
(
class
LAMMPS
*
,
int
,
char
**
);
~
FixLangevinEff
();
void
end_of_step
();
double
compute_scalar
();
private:
double
*
erforcelangevin
;
void
post_force_no_tally
();
void
post_force_tally
();
};
}
#endif
#endif
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