aiida_quantumespresso.parsers.pp

Parser implementation for the PpCalculation calculation job class.

Module Contents

Classes

PpParser

Parser implementation for the PpCalculation calculation job class.

class aiida_quantumespresso.parsers.pp.PpParser(node: aiida.orm.CalcJobNode)

Bases: aiida_quantumespresso.parsers.base.BaseParser

Parser implementation for the PpCalculation calculation job class.

class_error_map

units_dict

parse(**kwargs)

Parse the retrieved files of a PpCalculation into output nodes.

parse_stdout(stdout: str, logs: aiida.common.AttributeDict) → Tuple[dict, aiida.common.AttributeDict]

Parse the stdout content of a Quantum ESPRESSO pp.x calculation.

static parse_gnuplot1D(data_file_str, data_units)

Parse 1D GNUPlot formatted output.

Parameters:

data_file_str – the data file read in as a single string

static parse_gnuplot_polar(data_file_str, data_units)

Parse 2D Polar GNUPlot formatted, single column output.

Parameters:

data_file_str – the data file read in as a single string

static parse_gnuplot2D(data_file_str, data_units)

Parse 2D GNUPlot formatted output.

Parameters:

data_file_str – the data file read in as a single string

static parse_gaussian(data_file_str, data_units)

Parse Gaussian Cube formatted output.

Parameters:

data_file_str – the data file read in as a single string