psiresp.qm.PCMOptions
- pydantic model psiresp.qm.PCMOptions[source]
- Fields
- field cavity_mode: Literal['Implicit'] = 'Implicit'
- field cavity_radii_set: Literal['Bondi', 'UFF', 'Alinger'] = 'Bondi'
- field cavity_type: Literal['GePol'] = 'GePol'
- field medium_solvent: Literal['water'] = 'water'
- field medium_solver_type: Literal['CPCM', 'IEFPCM'] = 'CPCM'
- generate_keywords()[source]
Generate QCSchema-compatible set of keywords specifying PCM solvent options
- get_hash()