OpenFF Recharge documentation

openff-recharge

openff.recharge.charges.vsite.MonovalentLonePairParameter

model openff.recharge.charges.vsite.MonovalentLonePairParameter

Bases: _VirtualSiteParameter

Fields

• in_plane_angle (float)

• out_of_plane_angle (float)

• type (Literal['MonovalentLonePair'])

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

field in_plane_angle: float [Required]

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

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