TRIQS/triqs_modest 3.3.0
Modular Electronic Structure Toolkit
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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 }
 

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_orbstriqs::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_ttriqs::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< dcomplextriqs::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_gridtriqs::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.