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libmultiscale/src/md/lammps/domain_lammps_compound.hh
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domain_lammps_compound.hh
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/**
* @file domain_lammps_compound.hh
*
* @author Guillaume Anciaux <guillaume.anciaux@epfl.ch>
* @author Till Junge <till.junge@epfl.ch>
*
* @date Tue Jan 21 09:03:57 2014
*
* @brief This is the generic LAMMPS model capable of static/dynamic modelling
*
* @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_DOMAIN_LAMMPS_COMPOUND_HH__
#define __LIBMULTISCALE_DOMAIN_LAMMPS_COMPOUND_HH__
/* -------------------------------------------------------------------------- */
#include "domain_lammps_dynamic.hh"
#include "domain_lammps_minimize.hh"
/* -------------------------------------------------------------------------- */
__BEGIN_LIBMULTISCALE__
/**
* Class DomainAtomic
* domaine atomique
*/
template <UInt Dim>
class DomainLammpsCompound : public DomainLammpsDynamic<Dim>,
public DomainLammpsMinimize<Dim> {
/* ------------------------------------------------------------------------ */
/* Constructors/Destructors */
/* ------------------------------------------------------------------------ */
public:
DomainLammpsCompound(DomainID ID, CommGroup GID);
~DomainLammpsCompound();
/* ------------------------------------------------------------------------ */
/* Methods */
/* ------------------------------------------------------------------------ */
public:
void performStep1();
void performStep3();
void performStep2();
void init();
/* ------------------------------------------------------------------------ */
/* Class Members */
/* ------------------------------------------------------------------------ */
protected:
//! function for keyword parsing
void declareParams();
//! whether to minimize of timestep
bool is_static;
};
/* -------------------------------------------------------------------------- */
__END_LIBMULTISCALE__
#endif /* __LIBMULTISCALE_DOMAIN_LAMMPS_COMPOUND_HH__ */
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