triqs_dft_tools.converters.plovasp.inpconf.ConfigParameters
- class triqs_dft_tools.converters.plovasp.inpconf.ConfigParameters(input_filename, verbosity=1)[source]
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:
internal name of a parameter
function used to convert an input string into data for a given parameter
Methods
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Ensures consistency between groups and shells. In particular: |
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Band window is given by two ints, with the first one being smaller than the second one. |
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Energy window is given by two floats, with the first one being smaller than the second one. |
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Parses a file 'filename' containing transformation matrices for each ion. |
Parses [General] section. |
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Parses [Group] sections. |
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Parses input conf-file. |
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Parses required or optional parameter set from a section. |
Parses all [Shell] sections. |
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Two formats are accepted: |
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int parameters |
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The ion list accepts the following formats: |
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Logical parameters are given by string 'True' or 'False' (case does not matter). |
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Transformation matrix is defined as a set of rows separated by a new line symbol. |