loaders.cpp File Reference

#include "loaders.hpp"
#include "dft_code_specific.hpp"
#include "utils/nda_supp.hpp"
#include "utils/h5_proxy.hpp"
#include "utils/to_vector.hpp"
#include "utils/graph_algo.hpp"

Go to the source code of this file.

Namespaces
namespace	triqs
namespace	triqs::modest

Enumerations
enum class	triqs::modest::ReadMode { triqs::modest::Correlated , triqs::modest::ThetaProjectors , triqs::modest::Bands }
	Enumerate the different reading modes for the obe factory functions. More...

Functions
std::pair< nda::array< std::vector< long >, 2 >, nda::array< nda::matrix< dcomplex >, 2 > >	triqs::modest::discover_symmetries (nda::array< nda::matrix< dcomplex >, 2 > const &Hloc0, std::vector< atomic_orbs > const &atomic_shells, double block_threshold, bool diagonalize_hloc)
	Find symmetries of the R = 0 component of a Hamiltonian to determine a GF block structure.
nda::array< dcomplex, 4 >	triqs::modest::load_rotate_and_format_projectors (std::string const &filename, ReadMode mode, std::vector< cmat_t > const &rot_mats, std::vector< long > const &atom_decomp)
	Read projectors using ReadMode, rotate to local frame, and embed them in the M space. (internal)
std::vector< atomic_orbs >	triqs::modest::read_atomic_shells (auto const &filename, ReadMode mode)
	Read atomic shells according to ReadMode. (internal)
std::tuple< nda::array< dcomplex, 4 >, nda::matrix< long >, nda::array< double, 1 > >	triqs::modest::read_bands_and_weights (std::string filename, ReadMode mode)
	Read band dispersion and k-weights according to ReadMode. (internal)
ibz_symmetry_ops	triqs::modest::read_ibz_symmetry_ops (auto const &filename, ReadMode mode)
	Construct the ibz_symmetry_ops according to ReadMode.
std::vector< cmat_t >	triqs::modest::read_rotation_matrices (std::string const &filename, ReadMode mode)
	Read rotation matrices from hdf5. (internal)
nda::array< nda::matrix< dcomplex >, 1 >	triqs::modest::read_spherical_to_dft_basis (std::string dft, std::vector< atomic_orbs > const &atomic_shells)
	Prepare the spherical Ylm to DFT orbital basis rotations. (internal)
spin_kind_e	triqs::modest::read_spin_kind (auto const &filename)
	Setup spin_kind enum. (internal)
nda::matrix< dcomplex >	triqs::modest::svd (const nda::matrix< dcomplex > &A)
	utility to flatten a nested vector (move to utils/ ?)
OBE factories using a fixed grid
Factory functions to create one_body_elements_on_grid
std::pair< double, one_body_elements_on_grid >	triqs::modest::one_body_elements_from_dft_converter (std::string const &filename, double threshold, bool diagonalize_hloc)
	Prepare one-body elements for a DMFT calculation.
one_body_elements_on_grid	triqs::modest::one_body_elements_on_high_symmetry_path (std::string const &filename, one_body_elements_on_grid const &obe)
	Prepare one-body elements along high-symmetry k-path.
one_body_elements_on_grid	triqs::modest::one_body_elements_with_theta_projectors (std::string const &filename, one_body_elements_on_grid const &obe)
	Prepare one-body elements with the Θ projectors.