ReciprocalLattice.h

/* Copyright 2016 Kristofer Björnson
 *
 * Licensed under the Apache License, Version 2.0 (the "License");
 * you may not use this file except in compliance with the License.
 * You may obtain a copy of the License at
 *
 *     http://www.apache.org/licenses/LICENSE-2.0
 *
 * Unless required by applicable law or agreed to in writing, software
 * distributed under the License is distributed on an "AS IS" BASIS,
 * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
 * See the License for the specific language governing permissions and
 * limitations under the License.
 */
 
 
 
#ifndef COM_DAFER45_TBTK_RECIPROCAL_LATTICE
#define COM_DAFER45_TBTK_RECIPROCAL_LATTICE
 
#include "TBTK/Model.h"
#include "TBTK/StateTreeNode.h"
#include "TBTK/UnitCell.h"
 
#include <initializer_list>
#include <vector>
 
namespace TBTK{
 
class ReciprocalLattice{
public:
    ReciprocalLattice(UnitCell *unitCell/*, std::initializer_list<int> size*/);
 
    ~ReciprocalLattice();
 
    Model* generateModel(std::initializer_list<double> momentum) const;
 
    Model* generateModel(std::vector<double> momentum) const;
 
    Model* generateModel(
        const std::vector<std::vector<double>> &momentums,
        const std::vector<Index> &blockIndices
    ) const;
 
    const std::vector<std::vector<double>>& getReciprocalLatticeVectors() const;
 
    unsigned int getNumBands() const;
private:
    UnitCell *unitCell;
 
    StateSet *realSpaceEnvironment;
 
    StateTreeNode *realSpaceEnvironmentStateTree;
 
    StateSet *realSpaceReferenceCell;
 
    std::vector<std::vector<double>> reciprocalLatticeVectors;
 
    static constexpr double ROUNDOFF_MARGIN_MULTIPLIER = 1.01;
 
    void setupReciprocalLatticeVectors(const UnitCell *unitCell);
 
    void setupRealSpaceEnvironment(const UnitCell *unitCell);
};
 
inline const std::vector<std::vector<double>>& ReciprocalLattice::getReciprocalLatticeVectors() const{
    return reciprocalLatticeVectors;
}
 
inline unsigned int ReciprocalLattice::getNumBands() const{
    return unitCell->getNumStates();
}
 
};  //End of namespace TBTK
 
#endif