Angle1Potential¶
- class Angle1Potential(particleType1, particleType2, particleType3, k, theta0, rho1, rho2, 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.
rho1 (PhysicalQuantity of type length) – Potential parameter.
rho2 (PhysicalQuantity of type length) – Potential parameter.
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:
parameterName (str) – The name of the parameter that will be modified.
value – The new value that will be assigned to the parameter parameterName.
Notes¶
This potential specifies a three-body potential:
which is often used in core-shell potentials.