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fix_smd_tlsph_reference_configuration.h
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Created
Thu, Sep 5, 00:21
Size
2 KB
Mime Type
text/x-c++
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Sat, Sep 7, 00:21 (1 d, 23 h)
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rLAMMPS lammps
fix_smd_tlsph_reference_configuration.h
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/* ----------------------------------------------------------------------
*
* *** 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
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