httk.io.vasp.potcar

Header-only reader for VASP POTCAR and POTCAR.summary files.

Only potential header metadata is retained. The reader never returns or otherwise exposes the full POTCAR text, whose body can contain licensed data. POTCAR.summary files made by concatenating those headers are supported.

Functions

read_potcar_summary(source)

Extract one metadata mapping per TITEL header without retaining POTCAR text.

Module Contents

httk.io.vasp.potcar.read_potcar_summary(source)

Extract one metadata mapping per TITEL header without retaining POTCAR text.

Only header metadata is returned; the potential body is never retained or exposed because it can contain licensed data. Concatenated POTCAR.summary headers are accepted.

Parameters:

source (Any) – POTCAR or POTCAR.summary filename, text stream, or iterable of source lines.

Returns:

A neutral payload containing one metadata mapping per potential.

Return type:

dict[str, Any]