This is the documentation for
This recipe is comprised of a single instruction, namely:
Run this recipe through the CLI interface
$ asr run asr.c2db.chc
or as a python module
$ python -m asr.c2db.chc
- asr.c2db.chc.main(dbs, atoms, reactant='O')¶
- class asr.c2db.chc.Result(_matref, material_info, _reactant_ref, reactant, mu_measure, _intermediates, _refs, intermediates)¶
- property intermediates: List[asr.c2db.chc.Intermediate]¶
List of intermediates along convex hull cut.
- property material_info: str¶
- property mu_measure: float¶
Mu stability measure.
- property reactant: str¶
Name of reactant to calculate cut against. E.g. “O”.