aiida_quantumespresso.parsers.parse_xml.cp.legacy

Code that was written to parse the legacy XML format of Quantum ESPRESSO, which was deprecated in version 6.4.

Module Contents

Functions

parse_cp_xml_output(data)

Parse xml data data must be a single string, as returned by file.read() (notice the difference with

Attributes

units_suffix
default_energy_units
default_k_points_units
default_length_units

aiida_quantumespresso.parsers.parse_xml.cp.legacy.units_suffix = '_units'

aiida_quantumespresso.parsers.parse_xml.cp.legacy.default_energy_units = 'eV'

aiida_quantumespresso.parsers.parse_xml.cp.legacy.default_k_points_units = '1 / angstrom'

aiida_quantumespresso.parsers.parse_xml.cp.legacy.default_length_units = 'Angstrom'

aiida_quantumespresso.parsers.parse_xml.cp.legacy.parse_cp_xml_output(data)

Parse xml data data must be a single string, as returned by file.read() (notice the difference with parse_text_output!) On output, a dictionary with parsed values.

Democratically, we have decided to use picoseconds as units of time, eV for energies, Angstrom for lengths.