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compute_true_displacement.hh
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Tue, Sep 10, 11:22

compute_true_displacement.hh
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/**
* @file compute_true_displacement.hh
*
* @author Guillaume Anciaux <guillaume.anciaux@epfl.ch>
* @author Till Junge <till.junge@epfl.ch>
*
* @date Tue Dec 10 16:00:49 2013
*
* @brief This computes the real displacement when correcting for PBC
*
* @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_TRUE_DISPLACEMENT_HH__
#define __LIBMULTISCALE_COMPUTE_TRUE_DISPLACEMENT_HH__
/* -------------------------------------------------------------------------- */
#include "compute.hh"
/* -------------------------------------------------------------------------- */
__BEGIN_LIBMULTISCALE__
template <typename _Input>
class ComputeTrueDisplacement : public Compute<_Input> {
/* ------------------------------------------------------------------------ */
/* Constructors/Destructors */
/* ------------------------------------------------------------------------ */
public:
ComputeTrueDisplacement(const std::string & name,UInt dim = 1):
Compute<_Input>(name,dim){
for (UInt i = 0; i < 3; ++i) {
pbc[i] = 0;
}
};
ComputeTrueDisplacement(const std::string & name,ComponentLMInterface & d):
Compute<_Input>(name,d,d.getDim()){
for (UInt i = 0; i < 3; ++i) {
pbc[i] = 0;
}
};
virtual ~ComputeTrueDisplacement(){};
/* ------------------------------------------------------------------------ */
/* Methods */
/* ------------------------------------------------------------------------ */
public:
void declareParams();
void build(_Input & cont);
template <UInt Dim, bool pbc_x, bool pbc_y, bool pbc_z>
void buildWithPBC(_Input & cont);
protected:
/* ------------------------------------------------------------------------ */
/* Class Members */
/* ------------------------------------------------------------------------ */
protected:
//! periodic boundary conditions in each direction
bool pbc[3];
};
__END_LIBMULTISCALE__
#endif /* __LIBMULTISCALE_COMPUTE_TRUE_DISPLACEMENT_HH__ */

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