COMBCoulombOption¶
- class COMBCoulombOption(alpha, r_cut)¶
Constructor of the option.
- Parameters:
alpha (PhysicalQuantity of type length**-1) – Splitting parameter for the Wolf summation that is used internally to deal with long-range interactions.
r_cut (PhysicalQuantity of type length) – Cutoff for all electrostatic interactions for which no explicit cutoff is given.
- 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.