chemparseplot.parse.orca.neb¶
ORCA NEB parsing utilities.
Supports both:
OPI (ORCA Python Interface) for ORCA 6.1+ JSON output
Legacy regex parsing for older ORCA versions
Submodules¶
Package Contents¶
Data¶
API¶
- chemparseplot.parse.orca.neb.__all__¶
[‘HAS_OPI’, ‘extract_interp_points’, ‘parse_orca_neb’, ‘parse_orca_neb_fallback’]