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