GaussPotential¶
- class GaussPotential(particleType1, particleType2, b1, b2, b3, c1, c2, c3, 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.
b1 (PhysicalQuantity of type length**-2) – Potential parameter.
b2 (PhysicalQuantity of type length**-2) – Potential parameter.
b3 (PhysicalQuantity of type length**-2) – Potential parameter.
c1 (PhysicalQuantity of type energy) – Potential parameter.
c2 (PhysicalQuantity of type energy) – Potential parameter.
c3 (PhysicalQuantity of type energy) – Potential parameter.
r_cut (PhysicalQuantity of type length) – Cutoff radius
- 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¶
The GaussPotential defines a pairwise potential of the form