intermol.forces.quartic_angle_type module

class intermol.forces.quartic_angle_type.QuarticAngle(atom1, atom2, atom3, bondingtype1=None, bondingtype2=None, bondingtype3=None, theta=Quantity(value=0.0, unit=degree), C0=Quantity(value=0.0, unit=kilojoule/mole), C1=Quantity(value=0.0, unit=kilojoule/(mole*radian)), C2=Quantity(value=0.0, unit=kilojoule/(mole*radian**2)), C3=Quantity(value=0.0, unit=kilojoule/(mole*radian**3)), C4=Quantity(value=0.0, unit=kilojoule/(mole*radian**4)), c=False)

Bases: intermol.forces.quartic_angle_type.QuarticAngleType

stub documentation

class intermol.forces.quartic_angle_type.QuarticAngleType(*args, **kwds)

Bases: intermol.forces.abstract_angle_type.AbstractAngleType

C0

C1

C2

C3

C4

c

theta