Homec4science
Diffusion lammps (lammps-icms) Browse

lammps/src/USER-SMD/fix_smd_tlsph_reference_configuration.h
38356949ba42lammps-icms

Last Change
Raw File

fix_smd_tlsph_reference_configuration.h
View Options

/* ----------------------------------------------------------------------
*
* *** Smooth Mach Dynamics ***
*
* This file is part of the USER-SMD package for LAMMPS.
* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.
*
* This file is based on the FixShearHistory class.
*
* ----------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
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(SMD_TLSPH_NEIGHBORS,FixSMD_TLSPH_ReferenceConfiguration)
#else
#ifndef LMP_FIX_SMD_TLSPH_REFERENCE_H
#define LMP_FIX_SMD_TLSPH_REFERENCE_H
#include "fix.h"
#include "my_page.h"
namespace LAMMPS_NS {
class FixSMD_TLSPH_ReferenceConfiguration: public Fix {
friend class Neighbor;
friend class PairTlsph;
public:
FixSMD_TLSPH_ReferenceConfiguration(class LAMMPS *, int, char **);
~FixSMD_TLSPH_ReferenceConfiguration();
int setmask();
void init();
void setup(int);
void pre_exchange();
int pack_forward_comm(int, int *, double *, int, int *);
void unpack_forward_comm(int, int, double *);
double memory_usage();
void grow_arrays(int);
void copy_arrays(int, int, int);
int pack_exchange(int, double *);
int unpack_exchange(int, double *);
int pack_restart(int, double *);
void unpack_restart(int, int);
int size_restart(int);
int maxsize_restart();
bool crack_exclude(int i, int j);
bool get_line_intersection(int i, int j);
protected:
int updateFlag; // flag to update reference configuration
int nmax;
int maxpartner;
int *npartner; // # of touching partners of each atom
tagint **partner; // global atom IDs for the partners
float **wfd_list, **wf_list, **energy_per_bond;
float **degradation_ij; // per-pair interaction degradation status
class Pair *pair;
};
}
#endif
#endif
c4science · Help