triqs_dft_tools.converters.hk.HkConverter

class triqs_dft_tools.converters.hk.HkConverter(filename, hdf_filename=None, dft_subgrp='dft_input', symmcorr_subgrp='dft_symmcorr_input', repacking=False)

Conversion from general H(k) file to an hdf5 file that can be used as input for the SumKDFT class.

Methods

convert_dft_input([first_real_part_matrix, ...])	Reads the appropriate files and stores the data for the dft_subgrp in the hdf5 archive.
det_shell_equivalence(corr_shells)	Determine the equivalence of correlated shells.
read_fortran_file(filename, to_replace)	Returns a generator that yields all numbers in the Fortran file as float, with possible replacements.
repack()	Calls the h5repack routine in order to reduce the file size of the hdf5 archive.

Methods

__init__(filename[, hdf_filename, ...])	Initialise the class.
convert_dft_input([first_real_part_matrix, ...])	Reads the appropriate files and stores the data for the dft_subgrp in the hdf5 archive.
det_shell_equivalence(corr_shells)	Determine the equivalence of correlated shells.
read_fortran_file(filename, to_replace)	Returns a generator that yields all numbers in the Fortran file as float, with possible replacements.
repack()	Calls the h5repack routine in order to reduce the file size of the hdf5 archive.