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compute_lammps.hh
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Fri, Oct 18, 19:22
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rLIBMULTISCALE LibMultiScale
compute_lammps.hh
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/**
* @file compute_lammps.hh
*
* @author Guillaume Anciaux <guillaume.anciaux@epfl.ch>
*
* @date Mon Oct 28 19:23:14 2013
*
* @brief Generic compute which actually uses a LAMMPS compute
*
* @section LICENSE
*
* Copyright (©) 2010-2011 EPFL (Ecole Polytechnique Fédérale de Lausanne)
* Laboratory (LSMS - Laboratoire de Simulation en Mécanique des Solides)
*
* LibMultiScale is free software: you can redistribute it and/or modify it under the
* terms of the GNU Lesser General Public License as published by the Free
* Software Foundation, either version 3 of the License, or (at your option) any
* later version.
*
* LibMultiScale is distributed in the hope that it will be useful, but WITHOUT ANY
* WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR
* A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
* details.
*
* You should have received a copy of the GNU Lesser General Public License
* along with LibMultiScale. If not, see <http://www.gnu.org/licenses/>.
*
*/
#ifndef __LIBMULTISCALE_COMPUTE_LAMMPS_HH__
#define __LIBMULTISCALE_COMPUTE_LAMMPS_HH__
/* -------------------------------------------------------------------------- */
#include "compute.hh"
#include "compute_compatibility.hh"
/* -------------------------------------------------------------------------- */
__BEGIN_LIBMULTISCALE__
template
<
typename
Comp
>
class
ComputeLammps
:
public
Compute
<
ComponentNull
>
{
/* ------------------------------------------------------------------------ */
/* Constructors/Destructors */
/* ------------------------------------------------------------------------ */
public
:
ComputeLammps
(
Comp
&
c
,
LAMMPS_NS
::
LAMMPS
&
lmp
)
:
Compute
<
ComponentNull
>
(
std
::
string
(
c
.
id
),
1
),
comp_obj
(
c
),
lmp
(
lmp
)
{
};
virtual
~
ComputeLammps
(){};
/* ------------------------------------------------------------------------ */
/* Methods */
/* ------------------------------------------------------------------------ */
public
:
void
build
();
void
build
(
ComponentNull
&
input
){
LM_FATAL
(
"internal error"
);};
void
visit
(
ComponentLMOut
<
ComponentNull
>
&
obj
){
LM_TOIMPLEMENT
;};
void
copyScalar
();
void
copyArray
();
void
copyPerAtom
();
protected
:
/* ------------------------------------------------------------------------ */
/* Accessors */
/* ------------------------------------------------------------------------ */
public
:
/* ------------------------------------------------------------------------ */
/* Class Members */
/* ------------------------------------------------------------------------ */
protected
:
Comp
&
comp_obj
;
LAMMPS_NS
::
LAMMPS
&
lmp
;
};
__END_LIBMULTISCALE__
#endif
/* __LIBMULTISCALE_COMPUTE_LAMMPS_HH__ */
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