castep_outputs.parsers.hug_file_parser

Contents

castep_outputs.parsers.hug_file_parser#

Parse castep .hug files.

Functions

parse_hug_file()

Parse castep .hug file.

Classes

Hugoniot information.

class castep_outputs.parsers.hug_file_parser.HugFileInfo[source]#

Bases: TypedDict

Hugoniot information.

compression: tuple[float, ...]#: Percentage change in lattice parameters.

energy: tuple[float, ...]#: Total energy at given compression.

pressure: tuple[float, ...]#: Pressure at given compression.

temperature: tuple[float, ...]#: Temperature at given compression.

castep_outputs.parsers.hug_file_parser.parse_hug_file(hug_file)[source]#

castep_outputs.parsers.hug_file_parser.parse_hug_file(hug_file)

castep_outputs.parsers.hug_file_parser.parse_hug_file(hug_file)

Parse castep .hug file.

Parameters:: hug_file (TextIO) – Open handle to file to parse.
Returns:: Parsed info.
Return type:: HugFileInfo