mirror of
https://github.com/triqs/dft_tools
synced 2024-12-25 13:53:40 +01:00
4af1afbdaf
- For users : only change is : H5::H5File in apps. to be replaced by triqs::h5::file, same API. - using only the C API because : - it is cleaner, better documented, more examples. - it is the native hdf5 interface. - simplify the installation e.g. on mac. Indeed, hdf5 is usually installed without C++ interface, which is optional. E.g. EPD et al., brew by default. Also the infamous mpi+ hdf5_cpp bug, for which we have no clean solution. - clean the notion of parent of a group. Not needed, better iterate function in C LT API. - modified doc : no need for C++ bindings any more. - modified cmake to avoid requiring CPP bindings.
192 lines
6.7 KiB
C++
192 lines
6.7 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 <triqs/arrays.hpp>
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#include "triqs/utility/complex_ops.hpp"
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#include <triqs/utility/view_tools.hpp>
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#include <triqs/utility/expression_template_tools.hpp>
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#include <utility>
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#include <boost/iterator/iterator_facade.hpp>
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namespace triqs {
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namespace gfs {
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namespace mpl = boost::mpl;
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namespace tag {
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struct composite {};
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struct mesh_point {};
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}
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// scalar_valued, matrix_valued, tensor_valued
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struct scalar_valued {};
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template <int R> struct tensor_valued {
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static_assert(R > 0, "tensor_valued only for rank >0");
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};
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struct matrix_valued {};
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//------------------------------------------------------
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using dcomplex = std::complex<double>;
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/** The statistics : Boson or Fermion
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*/
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enum statistic_enum {
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Boson,
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Fermion
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};
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struct freq_infty {}; // the point at infinity
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//------------------------------------------------------
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template <typename... T> struct closest_pt_wrap;
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template <typename T> struct closest_pt_wrap<T> : tag::mesh_point {
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T value;
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template <typename U> explicit closest_pt_wrap(U &&x) : value(std::forward<U>(x)) {}
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};
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template <typename T1, typename T2, typename... Ts> struct closest_pt_wrap<T1, T2, Ts...> : tag::mesh_point {
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std::tuple<T1, T2, Ts...> value_tuple;
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template <typename... U> explicit closest_pt_wrap(U &&... x) : value_tuple(std::forward<U>(x)...) {}
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};
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template <typename... T> closest_pt_wrap<T...> closest_mesh_pt(T &&... x) {
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return closest_pt_wrap<T...>{std::forward<T>(x)...};
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}
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//------------------------------------------------------
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// A simple indice struct
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// Replace empty state by optional ?
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struct indices_2 {
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std::vector<std::vector<std::string>> ind;
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indices_2() = default;
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indices_2(std::vector<std::vector<std::string>> _ind) : ind(std::move(_ind)) {}
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bool is_empty() const { return ind.size() == 0; }
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void resize(int s) { ind.resize(s);}
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template <typename G> bool check_size(G *g) const {
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return (is_empty() ||
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((ind.size() == 2) && (ind[0].size() == get_target_shape(*g)[0]) && (ind[1].size() == get_target_shape(*g)[1])));
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}
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std::vector<std::string> operator[](int i) const {
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if (is_empty())
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return std::vector<std::string> {};
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else
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return ind[i];
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}
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arrays::range convert_index(std::string const &s, int l_r) const {
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if (!is_empty()) {
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auto b = ind[l_r].begin(), e = ind[l_r].end();
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auto it = std::find(b, e, s);
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if (it != e) return it - b;
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}
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TRIQS_RUNTIME_ERROR << "There are no string indices for this Green function";
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}
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friend class boost::serialization::access;
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template <class Archive> void serialize(Archive &ar, const unsigned int version) { ar &TRIQS_MAKE_NVP("ind", ind); }
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friend void h5_write(h5::group fg, std::string subgroup_name, indices_2 const &g) {
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if (g.is_empty()) return;
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auto gr = fg.create_group(subgroup_name);
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h5_write(gr, "left", g.ind[0]);
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h5_write(gr, "right", g.ind[1]);
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}
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friend void h5_read(h5::group fg, std::string subgroup_name, indices_2 &g) {
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h5::group gr = fg; // no default construction
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try {
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gr = fg.open_group(subgroup_name);
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}
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catch (...) {
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g = indices_2{}; // empty, no file
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return;
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}
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g.resize(2);
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h5_read(gr, "left", g.ind[0]);
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h5_read(gr, "right", g.ind[1]);
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}
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};
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// inline indices_2 slice(indices_2 const & ind, arrays::range rl, arrays::range rr) {
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// return {};
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// }
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inline indices_2 slice(indices_2 const &ind, arrays::range rl, arrays::range rr) {
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if (ind.is_empty()) return {};
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return {}; // MODIFY : slice the indices !!!
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TRIQS_RUNTIME_ERROR << "Not implemented : slice of string indices";
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}
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inline indices_2 transpose(indices_2 const &x) {
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auto ind2 = x.ind;
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if (x.ind.size() > 0) {
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int im = x.ind.size(), jm = x.ind[0].size();
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for (int i = 0; i < im; ++i)
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for (int j = 0; j < jm; ++j) ind2[i][j] = x.ind[j][i];
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}
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return indices_2(std::move(ind2));
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}
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//------------------------------------------------------
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// A simple replacement of tail when there is none to maintain generic code simple...
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struct nothing {
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template <typename... Args> explicit nothing(Args &&...) {} // takes anything, do nothing..
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nothing() {}
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using view_type = nothing;
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using regular_type = nothing;
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void rebind(nothing) {}
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template <typename RHS> void operator=(RHS &&) {}
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friend void h5_write(h5::group, std::string subgroup_name, nothing) {}
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friend void h5_read(h5::group, std::string subgroup_name, nothing) {}
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template <typename... A> friend nothing slice(nothing, A...) { return nothing(); }
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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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friend nothing operator+(nothing, nothing) { return nothing(); }
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template <typename RHS> friend void assign_from_expression(nothing &, RHS) {}
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template<typename A> bool check_size(A) {return true;}
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};
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inline nothing transpose(nothing) { return {};}
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inline nothing inverse(nothing) { return {};}
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inline nothing conj(nothing) { return {};}
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template <typename... T> nothing slice_target(nothing, T...) { return nothing(); }
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template <typename T> nothing operator+(nothing, T const &) { return nothing(); }
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template <typename T> nothing operator-(nothing, T const &) { return nothing(); }
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template <typename T> nothing operator*(nothing, T const &) { return nothing(); }
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template <typename T> nothing operator/(nothing, T const &) { return nothing(); }
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template <typename T> TYPE_DISABLE_IF(nothing, std::is_same<T, nothing>) operator+(T const &, nothing) { return nothing(); }
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template <typename T> TYPE_DISABLE_IF(nothing, std::is_same<T, nothing>) operator-(T const &, nothing) { return nothing(); }
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template <typename T> TYPE_DISABLE_IF(nothing, std::is_same<T, nothing>) operator*(T const &, nothing) { return nothing(); }
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template <typename T> TYPE_DISABLE_IF(nothing, std::is_same<T, nothing>) operator/(T const &, nothing) { return nothing(); }
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}
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}
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