OperatorAtom.hpp

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// SPDX-FileCopyrightText: 2024 Pairinteraction Developers
// SPDX-License-Identifier: LGPL-3.0-or-later
 
#pragma once
 
#include "pairinteraction/operator/Operator.hpp"
#include "pairinteraction/utils/traits.hpp"
 
#include <memory>
#include <vector>
 
namespace pairinteraction {
class Database;
 
enum class OperatorType;
 
template <typename Scalar>
class BasisAtom;
 
class KetAtom;
 
template <typename T>
class OperatorAtom;
 
template <typename Scalar>
struct traits::CrtpTraits<OperatorAtom<Scalar>> {
    using scalar_t = Scalar;
    using real_t = typename traits::NumTraits<Scalar>::real_t;
    using ket_t = KetAtom;
    using ketvec_t = std::vector<std::shared_ptr<const ket_t>>;
    using basis_t = BasisAtom<scalar_t>;
};
 
template <typename Scalar>
class OperatorAtom : public Operator<OperatorAtom<Scalar>> {
public:
    static_assert(traits::NumTraits<Scalar>::from_floating_point_v);
 
    using Type = OperatorAtom<Scalar>;
    using basis_t = typename traits::CrtpTraits<Type>::basis_t;
 
    OperatorAtom(std::shared_ptr<const basis_t> basis);
    OperatorAtom(std::shared_ptr<const basis_t> basis, OperatorType type, int q = 0);
 
private:
    friend class Database;
 
    OperatorAtom(std::shared_ptr<const basis_t> basis,
                 Eigen::SparseMatrix<Scalar, Eigen::RowMajor> &&matrix);
};
 
extern template class OperatorAtom<double>;
extern template class OperatorAtom<std::complex<double>>;
} // namespace pairinteraction