Parsing

Functions

parse_dos(path: Path | str) -> DOSResult

Parse an AkaiKKR DOS output file.

Parameters:

Name	Type	Description	Default
path	Path | str	Path to the DOS output file.	required

Returns:

Type	Description
DOSResult	The parsed DOS result.

parse_go(path: Path | str) -> GOResult

Parse an AkaiKKR GO output file.

Parameters:

Name	Type	Description	Default
path	Path | str	Path to the GO output file.	required

Returns:

Type	Description
GOResult	The parsed GO result.

parse_spc(path: Path | str, *, base_dir: Path | str | None = None, data_up: Path | str | None = None, data_down: Path | str | None = None) -> SPCResult

Parse an AkaiKKR SPC output file.

Spectral function data files (*_up.spc, *_dn.spc) are located automatically by appending _up.spc / _dn.spc to input_params.file and resolving from base_dir. Supply data_up or data_down to override either path explicitly.

Parameters:

Name	Type	Description	Default
path	Path | str	Path to the SPC log file.	required
base_dir	Path | str | None	Directory from which input_params.file is resolved to auto-locate the spectral function data files. Defaults to the log file's parent directory.	None
data_up	Path | str | None	Explicit path to the spin-up spectral function data file.	None
data_down	Path | str | None	Explicit path to the spin-down spectral function data file.	None

Returns:

Type	Description
SPCResult	The parsed SPC result.

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Parser classes

These are used internally by parse_dos(), parse_go(), and parse_spc(). You can instantiate them directly if you need finer control over the parsing process.

DOSParser

Parse AkaiKKR DOS and DSP output files.

parse(path: Path | str) -> DOSResult

Parse an AkaiKKR DOS or DSP output file.

Parameters:

Name	Type	Description	Default
path	Path | str	Path to the DOS or DSP output file.	required

Returns:

Type	Description
DOSResult	The parsed DOS result.

GOParser

Parse AkaiKKR GO output files.

parse(path: Path | str) -> GOResult

Parse an AkaiKKR GO output file.

Parameters:

Name	Type	Description	Default
path	Path | str	Path to the GO output file.	required

Returns:

Type	Description
GOResult	The parsed GO result.

SPCParser

Parse AkaiKKR SPC output files.

parse(path: Path | str, *, base_dir: Path | str | None = None, data_up: Path | str | None = None, data_down: Path | str | None = None) -> SPCResult

Parse an AkaiKKR SPC log file and optional spectral function data.

Spectral function data files (*_up.spc, *_dn.spc) are located automatically by appending _up.spc / _dn.spc to input_params.file and resolving from base_dir. Supply data_up or data_down to override either path explicitly.

Parameters:

Name	Type	Description	Default
path	Path | str	Path to the SPC log file.	required
base_dir	Path | str | None	Directory from which input_params.file is resolved to auto-locate the spectral function data files. Defaults to the log file's parent directory.	None
data_up	Path | str | None	Explicit path to the spin-up spectral function data file; overrides auto-discovery.	None
data_down	Path | str | None	Explicit path to the spin-down spectral function data file; overrides auto-discovery.	None

Returns:

Type	Description
SPCResult	The parsed SPC result. spectral_up / spectral_down are
SPCResult	None when their data files cannot be found.

Raises:

Type	Description
ParseError	If the log file is missing required sections.