Code that was written to parse the legacy XML format of Quantum ESPRESSO, which was deprecated in version 6.4.
Module Contents
Functions
read_xml_card(dom, cardname)
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parse_xml_child_integer(tagname, target_tags)
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parse_xml_child_float(tagname, target_tags)
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parse_xml_child_bool(tagname, target_tags)
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str2bool(string)
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parse_xml_child_str(tagname, target_tags)
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parse_xml_child_attribute_str(tagname, attributename, ...)
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parse_xml_child_attribute_int(tagname, attributename, ...)
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convert_list_to_matrix(in_matrix, n_rows, n_columns)
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converts a list into a list of lists (a matrix like) with n_rows and n_columns. |
xml_card_cell(parsed_data, dom)
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xml_card_ions(parsed_data, dom, lattice_vectors, volume)
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xml_card_spin(parsed_data, dom)
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xml_card_header(parsed_data, dom)
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xml_card_planewaves(parsed_data, dom, calctype)
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xml_card_symmetries(parsed_data, dom)
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xml_card_exchangecorrelation(parsed_data, dom)
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Attributes
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aiida_quantumespresso.parsers.parse_xml.legacy.units_suffix = '_units'[source]
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aiida_quantumespresso.parsers.parse_xml.legacy.default_energy_units = 'eV'[source]
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aiida_quantumespresso.parsers.parse_xml.legacy.default_k_points_units = '1 / angstrom'[source]
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aiida_quantumespresso.parsers.parse_xml.legacy.default_length_units = 'Angstrom'[source]
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aiida_quantumespresso.parsers.parse_xml.legacy.read_xml_card(dom, cardname)[source]
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aiida_quantumespresso.parsers.parse_xml.legacy.parse_xml_child_integer(tagname, target_tags)[source]
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aiida_quantumespresso.parsers.parse_xml.legacy.parse_xml_child_float(tagname, target_tags)[source]
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aiida_quantumespresso.parsers.parse_xml.legacy.parse_xml_child_bool(tagname, target_tags)[source]
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aiida_quantumespresso.parsers.parse_xml.legacy.str2bool(string)[source]
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aiida_quantumespresso.parsers.parse_xml.legacy.parse_xml_child_str(tagname, target_tags)[source]
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aiida_quantumespresso.parsers.parse_xml.legacy.parse_xml_child_attribute_str(tagname, attributename, target_tags)[source]
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aiida_quantumespresso.parsers.parse_xml.legacy.parse_xml_child_attribute_int(tagname, attributename, target_tags)[source]
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aiida_quantumespresso.parsers.parse_xml.legacy.convert_list_to_matrix(in_matrix, n_rows, n_columns)[source]
converts a list into a list of lists (a matrix like) with n_rows and n_columns.
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aiida_quantumespresso.parsers.parse_xml.legacy.xml_card_cell(parsed_data, dom)[source]
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aiida_quantumespresso.parsers.parse_xml.legacy.xml_card_ions(parsed_data, dom, lattice_vectors, volume)[source]
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aiida_quantumespresso.parsers.parse_xml.legacy.xml_card_spin(parsed_data, dom)[source]
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aiida_quantumespresso.parsers.parse_xml.legacy.xml_card_planewaves(parsed_data, dom, calctype)[source]
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aiida_quantumespresso.parsers.parse_xml.legacy.xml_card_symmetries(parsed_data, dom)[source]
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aiida_quantumespresso.parsers.parse_xml.legacy.xml_card_exchangecorrelation(parsed_data, dom)[source]
