TRIQS/triqs_modest 3.3.0
Modular Electronic Structure Toolkit
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loaders.hpp
#include "./downfolding.hpp"
#include "utils/nda_supp.hpp"

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Namespaces

namespace  triqs
namespace  triqs::modest

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.
OBE factories using a fixed grid

Factory functions to create one_body_elements_on_grid

one_body_elements_gw triqs::modest::make_one_body_elements_gw (std::string const &filename, double threshold=1e-5, bool diagonalize_hloc=false)
 Create a one-body elements for GW calculations with CoQui.
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.
one_body_elements_on_grid triqs::modest::read_data_on_high_symm_path_for_obe (const std::string &filename, const one_body_elements_on_grid &obe)
std::pair< double, one_body_elements_on_gridtriqs::modest::read_obe_from_dft_converter_hdf5 (std::string const &filename, double threshold, bool diagonalize_hloc)
one_body_elements_on_grid triqs::modest::read_theta_projectors_for_obe (const std::string &filename, const one_body_elements_on_grid &obe)