mirror of
https://github.com/triqs/dft_tools
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112 lines
4.1 KiB
C++
112 lines
4.1 KiB
C++
/*******************************************************************************
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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) 2012 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 "./brillouin_zone.hpp"
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#include "../gfs/tools.hpp"
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#include "../gfs/meshes/mesh_tools.hpp"
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namespace triqs {
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namespace lattice {
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struct bz_mesh {
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using domain_t = brillouin_zone;
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using index_t = long;
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using domain_pt_t = typename domain_t::point_t;
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bz_mesh() = default;
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bz_mesh(brillouin_zone const &bz, int n_l);
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bz_mesh(brillouin_zone const &bz, std::vector<k_t> k_pt_stack) : bz(bz), k_pt_stack(std::move(k_pt_stack)) {}
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domain_t const &domain() const { return bz; }
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long size() const { return k_pt_stack.size(); }
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/// Conversions point <-> index <-> linear_index
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domain_pt_t const &index_to_point(index_t i) const { return k_pt_stack[i]; }
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long index_to_linear(index_t ind) const { return ind; }
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// f (k) -> void where k is a k_t, a point in the BZ
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template <typename F> friend void foreach(bz_mesh const &m, F f) {
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for (auto const &k : m.k_pt_stack) f(k);
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}
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// locate the closest point : VERY PRIMITIVE : TO BE IMPROVED (kd-tree ?)
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long locate_neighbours(k_t k) const;
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/// The wrapper for the mesh point
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class mesh_point_t : gfs::tag::mesh_point, public utility::arithmetic_ops_by_cast<mesh_point_t, domain_pt_t> {
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bz_mesh const *m;
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index_t _index;
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public:
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mesh_point_t() : m(nullptr) {}
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mesh_point_t(bz_mesh const &mesh, index_t const &index_) : m(&mesh), _index(index_) {}
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mesh_point_t(bz_mesh const &mesh) : mesh_point_t(mesh, 0) {}
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void advance() { ++_index; }
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using cast_t = domain_pt_t;
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operator cast_t() const { return m->index_to_point(_index); }
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long linear_index() const { return _index; }
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long index() const { return _index; }
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bool at_end() const { return (_index == m->size()); }
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void reset() { _index = 0; }
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double operator()(int i) const { return m->index_to_point(_index)(i);}
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double operator[](int i) const { return m->index_to_point(_index)(i);}
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};
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/// Accessing a point of the mesh
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mesh_point_t operator[](index_t i) const { return mesh_point_t(*this, i); }
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/// Iterating on all the points...
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using const_iterator = gfs::mesh_pt_generator<bz_mesh>;
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const_iterator begin() const { return const_iterator(this); }
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const_iterator end() const { return const_iterator(this, true); }
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const_iterator cbegin() const { return const_iterator(this); }
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const_iterator cend() const { return const_iterator(this, true); }
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/// Mesh comparison
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bool operator==(bz_mesh const &M) const { return ( (size() == M.size())); }
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//bool operator==(bz_mesh const &M) const { return ((bz == M.bz) && (size() == M.size())); }
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bool operator!=(bz_mesh const &M) const { return !(operator==(M)); }
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/// Write into HDF5
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friend void h5_write(h5::group fg, std::string subgroup_name, bz_mesh const &m);
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/// Read from HDF5
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friend void h5_read(h5::group fg, std::string subgroup_name, bz_mesh &m);
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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 &TRIQS_MAKE_NVP("domain", bz);
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ar &TRIQS_MAKE_NVP("k_pt_stack", k_pt_stack);
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}
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friend std::ostream &operator<<(std::ostream &sout, bz_mesh const &m) { return sout << "Mesh over BZ "; }
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private:
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domain_t bz;
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std::vector<k_t> k_pt_stack;
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};
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}
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}
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