87 lines
2.6 KiB
C++
87 lines
2.6 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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*
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* *** Smooth Mach Dynamics ***
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*
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* This file is part of the USER-SMD package for LAMMPS.
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* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
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* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
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* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.
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*
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* This file is based on the FixShearHistory class.
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*
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* ----------------------------------------------------------------------- */
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/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifdef FIX_CLASS
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FixStyle(SMD_TLSPH_NEIGHBORS,FixSMD_TLSPH_ReferenceConfiguration)
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#else
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#ifndef LMP_FIX_SMD_TLSPH_REFERENCE_H
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#define LMP_FIX_SMD_TLSPH_REFERENCE_H
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#include "fix.h"
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#include "my_page.h"
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namespace LAMMPS_NS {
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class FixSMD_TLSPH_ReferenceConfiguration: public Fix {
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friend class Neighbor;
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friend class PairTlsph;
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public:
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FixSMD_TLSPH_ReferenceConfiguration(class LAMMPS *, int, char **);
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~FixSMD_TLSPH_ReferenceConfiguration();
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int setmask();
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void init();
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void setup(int);
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void pre_exchange();
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int pack_forward_comm(int, int *, double *, int, int *);
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void unpack_forward_comm(int, int, double *);
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double memory_usage();
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void grow_arrays(int);
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void copy_arrays(int, int, int);
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int pack_exchange(int, double *);
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int unpack_exchange(int, double *);
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int pack_restart(int, double *);
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void unpack_restart(int, int);
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int size_restart(int);
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int maxsize_restart();
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bool crack_exclude(int i, int j);
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bool get_line_intersection(int i, int j);
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protected:
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int updateFlag; // flag to update reference configuration
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int nmax;
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int maxpartner;
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int *npartner; // # of touching partners of each atom
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tagint **partner; // global atom IDs for the partners
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float **wfd_list, **wf_list, **energy_per_bond;
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float **degradation_ij; // per-pair interaction degradation status
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class Pair *pair;
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};
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}
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#endif
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#endif
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