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pair_lubricateU.h
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Tue, Jul 2, 18:51

pair_lubricateU.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 PAIR_CLASS
PairStyle(lubricateU,PairLubricateU)
#else
#ifndef LMP_PAIR_LUBRICATEU_H
#define LMP_PAIR_LUBRICATEU_H
#include "pair.h"
namespace LAMMPS_NS {
class PairLubricateU : public Pair {
public:
PairLubricateU(class LAMMPS *);
virtual ~PairLubricateU();
virtual void compute(int, int);
virtual void settings(int, char **);
void coeff(int, char **);
double init_one(int, int);
virtual void init_style();
void write_restart(FILE *);
void read_restart(FILE *);
void write_restart_settings(FILE *);
void read_restart_settings(FILE *);
int pack_forward_comm(int, int *, double *, int, int *);
void unpack_forward_comm(int, int, double *);
protected:
double cut_inner_global,cut_global;
double mu;
double rad;
int flaglog;
int flagdeform, flagwall;
int flagVF, flagHI;
double vol_P;
class FixWall *wallfix;
double gdot,Ef[3][3];
double **cut_inner,**cut;
void allocate();
double R0,RT0,RS0;
int nmax;
double **fl,**Tl,**xl;
int cgmax;
double *bcg,*xcg,*rcg,*rcg1,*pcg,*RU;
void compute_RE();
virtual void compute_RE(double **);
void compute_RU();
virtual void compute_RU(double **);
virtual void compute_Fh(double **);
void stage_one();
void intermediates(int, double **);
void stage_two(double **);
void copy_vec_uo(int, double *, double **, double **);
void copy_uo_vec(int, double **, double **, double *);
double dot_vec_vec(int , double *, double *);
};
}
#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.
W: Cannot include log terms without 1/r terms; setting flagHI to 1.
Self-explanatory.
E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.
E: Pair lubricateU requires atom style sphere
Self-explanatory.
E: Pair lubricateU requires ghost atoms store velocity
Use the comm_modify vel yes command to enable this.
E: Pair lubricateU requires monodisperse particles
All particles must be the same finite size.
E: Cannot use multiple fix wall commands with pair lubricateU
Self-explanatory.
*/

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