TaperedAnglePotential¶

class TaperedAnglePotential(particleType1, particleType2, particleType3, k, theta0, r_i=None, r_cut=None)¶

Constructor of the potential.

Parameters:

particleType1 (ParticleType or ParticleIdentifier) – Identifier of the first particle type.
particleType2 (ParticleType or ParticleIdentifier) – Identifier of the second particle type. This is the central particle (the vertex) when calculating the angle.
particleType3 (ParticleType or ParticleIdentifier) – Identifier of the second particle type.
k (PhysicalQuantity of type energy / angle**2) – Potential parameter.
theta0 (PhysicalQuantity of type angle) – Potential parameter.
r_i (PhysicalQuantity of type length) – The inner cutoff radius of this potential.
r_cut (PhysicalQuantity of type length) – The cutoff radius of this potential.

classmethod getAllParameterNames()¶: Return the names of all used parameters as a list.

getAllParameters()¶: Return all parameters of this potential and their current values as a <parameterName / parameterValue> dictionary.

static getDefaults()¶: Get the default parameters of this potential and return them in form of a dictionary of <parameter name, default value> key-value pairs.

getParameter(parameterName)¶: Get the current value of the parameter parameterName.

setParameter(parameterName, value)¶

Set the parameter parameterName to the given value.

Parameters: