mirror of
https://github.com/triqs/dft_tools
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76 lines
2.6 KiB
C++
76 lines
2.6 KiB
C++
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/*******************************************************************************
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*
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* TRIQS: a Toolbox for Research in Interacting Quantum Systems
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*
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* Copyright (C) 2011-2014 by M. Ferrero, O. Parcollet
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*
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* TRIQS is free software: you can redistribute it and/or modify it under the
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* terms of the GNU General Public License as published by the Free Software
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* Foundation, either version 3 of the License, or (at your option) any later
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* version.
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*
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* TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
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* WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
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* FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
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* details.
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*
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* You should have received a copy of the GNU General Public License along with
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* TRIQS. If not, see <http://www.gnu.org/licenses/>.
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*
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******************************************************************************/
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#pragma once
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#include "./bravais_lattice.hpp"
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namespace triqs {
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namespace lattice {
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class brillouin_zone {
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public:
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using point_t = k_t; // domain concept
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brillouin_zone() { // default construction, 3d cubic lattice
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K_reciprocal = arrays::make_unit_matrix<double>(3);
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K_reciprocal_inv() = K_reciprocal;
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}
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/// Construct from a bravais_lattice
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brillouin_zone(bravais_lattice const& bl_);
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/// Access to the underlying bravais lattice
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bravais_lattice lattice() const { return lattice_; }
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/// Transform from lattice to real coordinates
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template <typename K> k_t lattice_to_real_coordinates(K const& k) const { return _transfo_impl(k, K_reciprocal); }
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/// Transform from real to lattice coordinates
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template <typename K> k_t real_to_lattice_coordinates(K const& k) const { return _transfo_impl(k, K_reciprocal_inv); }
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/// Write into HDF5
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friend void h5_write(h5::group fg, std::string subgroup_name, brillouin_zone const& bz);
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/// Read from HDF5
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friend void h5_read(h5::group fg, std::string subgroup_name, brillouin_zone& bz);
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// BOOST Serialization
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friend class boost::serialization::access;
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template <class Archive> void serialize(Archive& ar, const unsigned int version) {
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ar& boost::serialization::make_nvp("bravais_lattice", lattice_);
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}
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private:
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bravais_lattice lattice_;
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arrays::matrix<double> K_reciprocal, K_reciprocal_inv;
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template <typename K> k_t _transfo_impl(K const& k, arrays::matrix<double> const& K_base) const {
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if (first_dim(k) != lattice().dim()) TRIQS_RUNTIME_ERROR << "latt_to_real_k : dimension of k must be " << lattice().dim();
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k_t res(3);
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res() = 0;
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int dim = lattice().dim();
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for (int i = 0; i < dim; i++) res += k(i) * K_reciprocal_inv(i, range{});
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return res;
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}
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};
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}
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}
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