castep_outputs.parsers.parse_utilities

castep_outputs.parsers.parse_utilities#

Functions generally used in parsing castep files.

Functions

parse_regular_header(block[, extra_opts])

Parse (semi-)standard castep file header block (given as iterable over lines).
castep_outputs.parsers.parse_utilities.parse_regular_header(block, extra_opts=())[source]#

Parse (semi-)standard castep file header block (given as iterable over lines).

Parameters:

  • block (Block) – Block to parse.

  • extra_opts (Sequence[str]) – Extra regexes to match (stored as floats).

Returns:

Parsed header block.

Return type:

dict[str, float | int]

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