chemparseplot.parse.orca.neb#

ORCA NEB parsing utilities (public).

Backends (selected via :func:parse_orca_neb backend=):

  • OPI (optional): ORCA 6.1+ structured output via the opi package, loaded only inside chemparseplot — not a public consumer dependency.

  • legacy: regex / .interp parsing for older ORCA outputs.

Submodules#

Package Contents#

Data#

__all__

API#

chemparseplot.parse.orca.neb.__all__#

[‘HAS_OPI’, ‘extract_interp_points’, ‘opi_available’, ‘parse_orca_neb’, ‘parse_orca_neb_fallback’]