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lammps/src/PERI/fix_peri_neigh.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(PERI_NEIGH,FixPeriNeigh)
#else
#ifndef LMP_FIX_PERI_NEIGH_H
#define LMP_FIX_PERI_NEIGH_H
#include "fix.h"
namespace LAMMPS_NS {
class FixPeriNeigh : public Fix {
friend class PairPeriPMB;
friend class PairPeriPMBOMP;
friend class PairPeriLPS;
friend class PairPeriVES;
friend class PairPeriEPS;
friend class PairPeriLPSOMP;
friend class ComputeDamageAtom;
friend class ComputePlasticityAtom;
public:
FixPeriNeigh(class LAMMPS *,int, char **);
virtual ~FixPeriNeigh();
int setmask();
void init();
void init_list(int, class NeighList *);
void setup(int);
void min_setup(int);
double memory_usage();
void grow_arrays(int);
void copy_arrays(int, int, int);
int pack_exchange(int, double *);
int unpack_exchange(int, double *);
void write_restart(FILE *);
void restart(char *);
int pack_restart(int, double *);
void unpack_restart(int, int);
int size_restart(int);
int maxsize_restart();
int pack_forward_comm(int, int *, double *, int, int *);
void unpack_forward_comm(int, int, double *);
protected:
int first; // flag for first time initialization
int maxpartner; // max # of peridynamic neighs for any atom
int *npartner; // # of neighbors for each atom
tagint **partner; // neighs for each atom, stored as global IDs
double **deviatorextention; // Deviatoric extention
double **deviatorBackextention; // Deviatoric back extention
double **deviatorPlasticextension; // Deviatoric plastic extension
double *lambdaValue;
double **r0; // initial distance to partners
double **r1; // instanteneous distance to partners
double *thetaValue; // dilatation
double *vinter; // sum of vfrac for bonded neighbors
double *wvolume; // weighted volume of particle
int isPMB,isLPS,isVES,isEPS; // which flavor of PD
class NeighList *list;
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Duplicate particle in PeriDynamic bond - simulation box is too small
This is likely because your box length is shorter than 2 times
the bond length.
*/
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