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libmultiscale/src/coupling/bridging_atomic_continuum.hh
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bridging_atomic_continuum.hh
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/**
* @file bridging_atomic_continuum.hh
*
* @author Guillaume Anciaux <guillaume.anciaux@epfl.ch>
*
* @date Thu Oct 03 16:50:49 2013
*
* @brief Bridging object between atomistic and finite elements
*
* @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 BRIDGING_ATOMIC_CONTINUUM_H
#define BRIDGING_ATOMIC_CONTINUUM_H
/* -------------------------------------------------------------------------- */
#include "bridging.hh"
#include "lib_continuum.hh"
#include "lib_md.hh"
/* -------------------------------------------------------------------------- */
__BEGIN_LIBMULTISCALE__
/** TODO: review doc */
class BridgingAtomicContinuum : public Bridging {
public:
BridgingAtomicContinuum(const std::string &name);
virtual ~BridgingAtomicContinuum();
public:
//! method which cleans the memory of the object for a new restart
virtual void clearAll();
//! generic initializing function
template <typename ContA, typename ContC>
void init(ContA &contA, ContC &contC);
//! average atomic velocities per elements
virtual void averageDOFsOnElements(ContainerArray<Real> &data_mesh,
FieldType field);
void projectAtomicFieldOnMesh(FieldType field);
void projectAtomicFieldOnMesh(FieldType field, ContainerArray<Real> &array);
//! Perform a leastsquare on a set of atoms returning and nodal array
void leastSquareAtomicDOFs(ContainerArray<Real> &data_mesh, FieldType field);
//! Perform a leastsquare on a set of atoms returning and nodal array
void leastSquareAtomicData(ContainerArray<Real> &data_mesh,
ContainerArray<Real> &data_atom);
//! build atomic DOFs vector noise (u-sum_I \varphi_I u_I)
void buildAtomicDOFsNoiseVector(std::vector<Real> &v_out, FieldType field);
//! sync migrated data with atoms
virtual void updateForMigration();
//! create an array with interpolated field on atomic sites
void interpolateAtomicDOFs(FieldType field);
//! create an array with interpolated field on atomic sites
void interpolateAtomicDOFs(FieldType field_code,
ContainerArray<Real> &buffer);
protected:
//! checks coherency of DOFs redistribution based on atomic positions
template <typename DomainA, typename DomainC>
void checkPositionCoherency(DomainA &domA, DomainC &domC);
void checkPositionCoherency();
//! search a given atom by coordinates
template <typename Cont, typename Vec>
void searchAtomInLocalPool(Cont &container, Vec &X);
// public:
// //! atomic domain
// DomainA &domA;
// //! continuum domain
// DomainC &domC;
protected:
//! group ID of the continuum side
CommGroup comm_group_continuum;
//! group IF of the atomic side
CommGroup comm_group_atomic;
};
__END_LIBMULTISCALE__
/* -------------------------------------------------------------------------- */
#endif // BRIDGING
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