triqs_dft_tools.converters.plovasp.inpconf.ConfigParameters

class triqs_dft_tools.converters.plovasp.inpconf.ConfigParameters(input_filename, verbosity=1)

Class responsible for parsing of the input config-file.

Parameters:

• sh_required, sh_optional : required and optional parameters of shells

• gr_required, gr_optional : required and optional parameters of groups

The dictionary contains a mapping of conf-file keywords to a pair of objects:

1. internal name of a parameter

2. function used to convert an input string into data for a given parameter

Methods

groups_shells_consistency()	Ensures consistency between groups and shells. In particular:
parse_band_window(par_str)	Band window is given by two ints, with the first one being smaller than the second one.
parse_energy_window(par_str)	Energy window is given by two floats, with the first one being smaller than the second one.
parse_file_tmatrix(filename)	Parses a file 'filename' containing transformation matrices for each ion.
parse_general()	Parses [General] section.
parse_groups()	Parses [Group] sections.
parse_input()	Parses input conf-file.
parse_parameter_set(section, param_set[, ...])	Parses required or optional parameter set from a section.
parse_shells()	Parses all [Shell] sections.
parse_string_dosmesh(par_str)	Two formats are accepted:
parse_string_int(par_str)	int parameters
parse_string_ion_list(par_str)	The ion list accepts the following formats:
parse_string_logical(par_str)	Logical parameters are given by string 'True' or 'False' (case does not matter).
parse_string_tmatrix(par_str, real)	Transformation matrix is defined as a set of rows separated by a new line symbol.

Methods

__init__(input_filename[, verbosity])
groups_shells_consistency()	Ensures consistency between groups and shells. In particular:
parse_band_window(par_str)	Band window is given by two ints, with the first one being smaller than the second one.
parse_energy_window(par_str)	Energy window is given by two floats, with the first one being smaller than the second one.
parse_file_tmatrix(filename)	Parses a file 'filename' containing transformation matrices for each ion.
parse_general()	Parses [General] section.
parse_groups()	Parses [Group] sections.
parse_input()	Parses input conf-file.
parse_parameter_set(section, param_set[, ...])	Parses required or optional parameter set from a section.
parse_shells()	Parses all [Shell] sections.
parse_string_dosmesh(par_str)	Two formats are accepted:
parse_string_int(par_str)	int parameters
parse_string_ion_list(par_str)	The ion list accepts the following formats:
parse_string_logical(par_str)	Logical parameters are given by string 'True' or 'False' (case does not matter).
parse_string_tmatrix(par_str, real)	Transformation matrix is defined as a set of rows separated by a new line symbol.