LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-12-25 13:53:40 +01:00
Code Issues Releases Wiki Activity

gf: add negative matsubara freqs

Browse Source 
- add possibility of having negative matsubara freqs
in the matsubara mesh.

- TODO :
   finish imtime complex
   adapt fourier in this case
   test
This commit is contained in:
Olivier Parcollet 2013-12-17 15:09:34 +01:00
parent 255de834a2
commit ce221dfc1c
1 changed files with 21 additions and 16 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

37
triqs/gfs/meshes/matsubara_freq.hpp
View File

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