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fix_gran_diag.h
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Thu, Nov 7, 19:03

fix_gran_diag.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_GRAN_DIAG_H
#define FIX_GRAN_DIAG_H
#include "stdio.h"
#include "fix.h"
namespace LAMMPS_NS {
class FixGranDiag : public Fix {
public:
FixGranDiag(class LAMMPS *, int, char **);
~FixGranDiag();
int setmask();
void init();
void setup();
void end_of_step();
private:
int me,first,pairstyle,nlayers,maxlayers,dim;
FILE *fpden,*fpvel,*fpstr;
double step,stepinv,boxlo,PI;
double dt,xkk,xkkt,xmu,gamman_dl,gammas_dl;
int freeze_group_bit;
int *numdens;
double *dendens;
double *velx,*vely,*velz;
double *velxx,*velyy,*velzz,*velxy,*velxz,*velyz;
double *sigxx,*sigyy,*sigzz,*sigxy,*sigxz,*sigyz;
double *velx11,*vely11,*velz11;
double *velxx11,*velyy11,*velzz11,*velxy11,*velxz11,*velyz11;
double *velfxx,*velfyy,*velfzz,*velfxy,*velfxz,*velfyz;
double *sigx2,*sigy2,*sigz2,*sigxy2,*sigxz2,*sigyz2;
class Pair *pair;
class NeighList *list,*listgran;
void allocate();
void deallocate();
void stress_no_history();
void stress_history();
void stress_hertzian();
};
}
#endif

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