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fix_viscosity.h
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Thu, Sep 5, 21:23
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rLAMMPS lammps
fix_viscosity.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.
------------------------------------------------------------------------- */
#ifdef FIX_CLASS
FixStyle
(
viscosity
,
FixViscosity
)
#else
#ifndef LMP_FIX_VISCOSITY_H
#define LMP_FIX_VISCOSITY_H
#include "fix.h"
namespace
LAMMPS_NS
{
class
FixViscosity
:
public
Fix
{
public:
FixViscosity
(
class
LAMMPS
*
,
int
,
char
**
);
~
FixViscosity
();
int
setmask
();
void
init
();
void
end_of_step
();
double
compute_scalar
();
private:
int
me
;
int
vdim
,
pdim
,
nbin
,
periodicity
;
int
nswap
;
double
vtarget
;
double
prd
,
boxlo
,
boxhi
;
double
slablo_lo
,
slablo_hi
,
slabhi_lo
,
slabhi_hi
;
double
p_exchange
;
int
npositive
,
nnegative
;
int
*
pos_index
,
*
neg_index
;
double
*
pos_delta
,
*
neg_delta
;
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
E: Fix viscosity swap value must be positive
Self-explanatory.
E: Fix viscosity vtarget value must be positive
Self-explanatory.
W: Fix viscosity comes before fix ave/spatial
The order of these 2 fixes in your input script is such that
fix viscosity comes first. If you are using fix ave/spatial
to measure the velocity profile induced by fix viscosity, then
this may cause a glitch in the profile since you are averaging
immediately after swaps have occurred. Flipping the order
of the 2 fixes typically helps.
*/
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