chemcoord.ric_functions.DefaultWeights

class chemcoord.ric_functions.DefaultWeights(bond=1.0, angle=0.1, dihedral=0.05, bending=0.01)

Default weights for the cost function in the weighted least-squares.

Methods

__init__([bond, angle, dihedral, bending])	Method generated by attrs for class DefaultWeights.
get_weight(coord)

Attributes

bond	The bond length weighting
angle
dihedral
bending

Parameters:

• bond (float)

• angle (float)

• dihedral (float)

• bending (float)