castep_outputs.parsers.hug_file_parser

castep_outputs.parsers.hug_file_parser#

Parse castep .hug files.

Functions

parse_hug_file(hug_file)

Parse castep .hug file.

Classes

HugFileInfo

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]#

Parse castep .hug file.

Parameters:

hug_file (TextIO) – Open handle to file to parse.

Returns:

Parsed info.

Return type:

HugFileInfo

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