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libmultiscale/src/md/lammps/compute_lammps.hh
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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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