schrodinger.application.jaguar.autots_input_constants module

Constants used by AutoTSInput

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'