OpenFF Recharge documentation

openff-recharge

openff.recharge.charges.vsite.DivalentLonePairParameter

model openff.recharge.charges.vsite.DivalentLonePairParameter

Bases: _VirtualSiteParameter

Fields

• out_of_plane_angle (float)

• type (Literal['DivalentLonePair'])

field type: Literal['DivalentLonePair'] = 'DivalentLonePair'

field out_of_plane_angle: float [Required]

The angle [deg] to move the virtual site out of the plane defined by the tagged atoms by.

classmethod local_frame_weights() → ndarray

property local_frame_coordinates: numpy.ndarray