schrodinger.application.jaguar.esol_keywords module

This module documents all possible Esol input keywords.

class schrodinger.application.jaguar.esol_keywords.Protocol

Bases: StrEnum

DEFAULT = 'default'

MLFF_FILTER = 'mlff_filter'

MLFF_GEOPT = 'mlff_geopt'

MLFF_ENERGY = 'mlff_energy'

FULL_EXHAUSTIVE_DFT = 'full_exhaustive_dft'

schrodinger.application.jaguar.esol_keywords.keyword(name, valid_type, default, description, hidden=False)

Convenience function to create a dictionary of EsolKeyword’s

schrodinger.application.jaguar.esol_keywords.generate_all_keywords()