Homec4science
Diffusion lammps (lammm-devel) Browse

lammps/src/MISC/fix_viscosity.h
49804d97059flammm-devel

Last Change
Raw File

fix_viscosity.h
View Options

/* -*- 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.
*/
c4science · Help