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fix_gaussflow.h
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Thu, Nov 14, 15:07
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Sat, Nov 16, 15:07 (2 d)
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rLAMMPS lammps
fix_gaussflow.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 authors: Steven E. Strong and Joel D. Eaves
Joel.Eaves@Colorado.edu
------------------------------------------------------------------------- */
#ifdef FIX_CLASS
FixStyle
(
gaussFlow
,
FixGaussFlow
)
#else
#ifndef LMP_FIX_GAUSSFLOW_H
#define LMP_FIX_GAUSSFLOW_H
#include "fix.h"
namespace
LAMMPS_NS
{
class
FixGaussFlow
:
public
Fix
{
public:
FixGaussFlow
(
class
LAMMPS
*
,
int
,
char
**
);
int
setmask
();
double
compute_scalar
();
double
compute_vector
(
int
n
);
void
post_force
(
int
);
void
setup
(
int
);
protected:
int
dimension
;
bool
flow
[
3
];
//flag if each direction is conserved
double
a_app
[
3
];
//applied acceleration
double
mTot
;
//total mass of constrained group
double
f_tot
[
3
];
//total applied force
double
peAdded
;
//total added energy per proc
double
pe_tot
;
//total added energy
bool
force_flag
;
//if force has been computed this timestep already
double
dt
;
//timestep
bool
workflag
;
//if calculate work done by fix
};
}
#endif
#endif
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