relentless.model.potential.BondParameters

class relentless.model.potential.BondParameters(types, params)

Parameters for a bond potential.

Methods

evaluate(key)	Evaluate parameters.
from_json(data)
to_json()	Export parameters to a JSON-compatible dictionary.

evaluate(key)

Evaluate parameters.

Parameters:

key (str) – Key for which the parameters are evaluated.

Returns:

params – The evaluated parameters.

Return type:

dict

to_json()

Export parameters to a JSON-compatible dictionary.

Returns:

Evaluated parameters.

Return type:

dict