aim2dat.io.cp2k.stdout

Functions to read the standard output file of CP2K.

Module Contents

Functions

read_stdout(→ dict)

Read standard output file of CP2K.
aim2dat.io.cp2k.stdout.read_stdout(file_name: str, parser_type: str = 'standard') → dict[source]

Read standard output file of CP2K.

Parameters:

  • file_name (str) – Path to the output file.

  • parser_type (str) – Defines the quantities that are being parsed. Supported options are 'standard', 'partial_charges' and 'trajectory'.

Returns:

dict – Dictionary containing the parsed values.