aiida_hubbard.parsers.parse_raw.hp

aiida_hubbard.parsers.parse_raw.hp#

A collection of function that are used to parse the output of Quantum Espresso HP.

The function that needs to be called from outside is parse_raw_output(). The functions mostly work without aiida specific functionalities.

Module Contents#

Functions#

parse_raw_output(stdout)

Parse the output parameters from the output of a Hp calculation written to standard out.

detect_important_message(logs, line)

Detect error or warning messages, and append to the log if a match is found.

aiida_hubbard.parsers.parse_raw.hp.parse_raw_output(stdout)[source]#

Parse the output parameters from the output of a Hp calculation written to standard out.

Parameters:

filepath – path to file containing output written to stdout

Returns:

boolean representing success status of parsing, True equals parsing was successful

Returns:

dictionary with the parsed parameters

aiida_hubbard.parsers.parse_raw.hp.detect_important_message(logs, line)[source]#

Detect error or warning messages, and append to the log if a match is found.