schrodinger.application.jaguar.autots_input_constants module¶

Constants used by AutoTSInput

class schrodinger.application.jaguar.autots_input_constants.SpectatorESPMethod¶

Bases: StrEnum

AUTO = 'auto'¶

JAGUAR = 'jaguar'¶

XTB = 'xtb'¶

class schrodinger.application.jaguar.autots_input_constants.CoordinateChoice¶

Bases: StrEnum

DISTANCE = 'distance'¶

INTERNAL = 'internal'¶

CARTESIAN = 'cartesian'¶

class schrodinger.application.jaguar.autots_input_constants.RefinishMode¶

Bases: StrEnum

NONE = 'none'¶

ENERGY = 'energy'¶