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fix_uniaxial.h
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Wed, Sep 18, 19:55
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Fri, Sep 20, 19:55 (2 d)
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rLAMMPS lammps
fix_uniaxial.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.
------------------------------------------------------------------------- */
#ifndef FIX_UNIAXIAL_H
#define FIX_UNIAXIAL_H
#include "fix.h"
namespace
LAMMPS_NS
{
class
FixUniaxial
:
public
Fix
{
public:
FixUniaxial
(
class
LAMMPS
*
,
int
,
char
**
);
~
FixUniaxial
();
int
setmask
();
void
init
();
void
end_of_step
();
private:
int
dir
;
double
lambda_final
;
double
alpha0
;
// asymmetry parameter
double
lambdai
[
3
];
// initial
double
lambdaf
[
3
];
// final
double
domainloi
[
3
];
// initial box lo/hi
double
domainhii
[
3
];
double
*
domainlo
[
3
];
// pointers to make loop over dims possible
double
*
domainhi
[
3
];
double
*
domainprd
[
3
];
int
kspace_flag
;
// 1 if KSpace invoked, 0 if not
int
nrigid
;
// number of rigid fixes
int
*
rfix
;
// indices of rigid fixes
};
#endif
}
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