84 lines
2.6 KiB
C++
84 lines
2.6 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
|
|
*
|
|
* *** Smooth Mach Dynamics ***
|
|
*
|
|
* This file is part of the MACHDYN 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
|
|
https://www.lammps.org/, 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
|
|
// clang-format off
|
|
FixStyle(SMD_TLSPH_NEIGHBORS,FixSMD_TLSPH_ReferenceConfiguration);
|
|
// clang-format on
|
|
#else
|
|
|
|
#ifndef LMP_FIX_SMD_TLSPH_REFERENCE_H
|
|
#define LMP_FIX_SMD_TLSPH_REFERENCE_H
|
|
|
|
#include "fix.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() override;
|
|
|
|
int setmask() override;
|
|
void init() override;
|
|
void setup(int) override;
|
|
void pre_exchange() override;
|
|
int pack_forward_comm(int, int *, double *, int, int *) override;
|
|
void unpack_forward_comm(int, int, double *) override;
|
|
|
|
double memory_usage() override;
|
|
void grow_arrays(int) override;
|
|
void copy_arrays(int, int, int) override;
|
|
int pack_exchange(int, double *) override;
|
|
int unpack_exchange(int, double *) override;
|
|
int pack_restart(int, double *) override;
|
|
void unpack_restart(int, int) override;
|
|
int size_restart(int) override;
|
|
int maxsize_restart() override;
|
|
|
|
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;
|
|
};
|
|
|
|
} // namespace LAMMPS_NS
|
|
|
|
#endif
|
|
#endif
|