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https://github.com/triqs/dft_tools
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gf: add negative matsubara freqs
- add possibility of having negative matsubara freqs in the matsubara mesh. - TODO : finish imtime complex adapt fourier in this case test
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@ -38,7 +38,8 @@ namespace gfs {
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: _dom(std::move(dom)), n_max(n_pts), _positive_only(positive_only) {}
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domain_t const &domain() const { return _dom; }
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size_t size() const { return (_positive_only ? n_max : 2 * n_max + 1); }
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int index_start() const { return -(_positive_only ? 0 : n_max + (_dom.statistic == Fermion)); }
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size_t size() const { return (_positive_only ? n_max : 2 * n_max + (_dom.statistic == Boson ? 1 : 2)); }
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/// Conversions point <-> index <-> linear_index
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domain_pt_t index_to_point(index_t ind) const {
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@ -46,21 +47,21 @@ namespace gfs {
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}
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public:
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size_t index_to_linear(index_t ind) const { return ind; }
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int index_to_linear(index_t ind) const { return ind + index_start(); }
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/// The wrapper for the mesh point
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/// The mesh point
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struct mesh_point_t : tag::mesh_point, matsubara_freq {
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index_t n_max;
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index_t index_start, index_stop;
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mesh_point_t() = default;
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mesh_point_t(matsubara_freq_mesh const &mesh, index_t const &index_)
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: matsubara_freq(index_, mesh.domain().beta, mesh.domain().statistic), n_max(mesh.size()) {}
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mesh_point_t(index_t const &index_, double beta_, statistic_enum stat_, index_t n_max_)
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: matsubara_freq(index_, beta_, stat_), n_max(n_max_) {}
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: matsubara_freq(index_, mesh.domain().beta, mesh.domain().statistic),
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index_start(mesh.index_start()),
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index_stop(mesh.index_start() + mesh.size() - 1) {}
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void advance() { ++n; }
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size_t linear_index() const { return n; }
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size_t index() const { return n; }
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bool at_end() const { return (n == n_max); }
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void reset() { n = 0; }
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bool at_end() const { return (n == index_stop); }
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void reset() { n = index_start; }
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};
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/// Accessing a point of the mesh
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@ -84,12 +85,16 @@ namespace gfs {
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h5::group gr = fg.create_group(subgroup_name);
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h5_write(gr, "domain", m.domain());
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h5_write(gr, "size", m.size());
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// h5_write(gr, "start_at_0", m._positive_only);
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// kept for backward compatibility
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auto beta = m.domain().beta;
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h5_write(gr, "min", Fermion ? M_PI / beta : 0);
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h5_write(gr, "max", ((Fermion ? 1 : 0) + 2 * m.size()) * M_PI / beta);
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h5_write(gr, "kind", 2);
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if (m._positive_only) {
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// h5_write(gr, "start_at_0", m._positive_only);
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// kept for backward compatibility
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auto beta = m.domain().beta;
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h5_write(gr, "min", Fermion ? M_PI / beta : 0);
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h5_write(gr, "max", ((Fermion ? 1 : 0) + 2 * m.size()) * M_PI / beta);
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h5_write(gr, "kind", 2);
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} else { // A strange way : to preserve backward compatibility for old archive.
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h5_write(gr, "start_at_0", m._positive_only);
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}
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}
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/// Read from HDF5
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@ -100,7 +105,7 @@ namespace gfs {
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bool s = true;
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h5_read(gr, "domain", dom);
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h5_read(gr, "size", L);
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// h5_read(gr, "start_at_0", s);
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if (gr.has_key("start_at_0")) h5_read(gr, "start_at_0", s);
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m = matsubara_freq_mesh{std::move(dom), L, s};
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}
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