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TRIQS/triqs_modest 3.3.0
Modular Electronic Structure Toolkit
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#include "loaders.hpp"#include "dft_tools/utils.hpp"#include "dft_tools/spherical_rotation.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 } |
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) |
| std::vector< atomic_orbs > | triqs::modest::read_atomic_shells (auto const &filename, ReadMode mode) |
| std::tuple< nda::array< dcomplex, 4 >, nda::matrix< long >, nda::array< double, 1 > > | triqs::modest::read_bands_and_weights (std::string filename, ReadMode mode) |
| ibz_symmetry_ops | triqs::modest::read_ibz_symmetry_ops (auto const &filename, ReadMode mode) |
| std::vector< cmat_t > | triqs::modest::read_rotation_matrices (std::string const &filename, ReadMode mode) |
| nda::array< nda::matrix< dcomplex >, 1 > | triqs::modest::read_spherical_to_dft_basis (std::string dft, std::vector< atomic_orbs > const &atomic_shells) |
| spin_kind_e | triqs::modest::read_spin_kind (auto const &filename) |
| nda::matrix< dcomplex > | triqs::modest::svd (const nda::matrix< dcomplex > &A) |
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=1.e-5, bool diagonalize_hloc=false) |
| Create a one-body elements with orthonormalized projectors. | |
| 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) |
| Create a one-body elements along specific 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) |
| Create a one-body elements with the \( \Theta \) projectors. | |