feos.uvtheory

Utilities to build UVTheoryParameters.

Example

from feos.uvtheory import UVTheoryParameters

parameters = UVTheoryParameters.from_json(['methane', 'ethane'], 'parameters.json')

Data types

Identifier([cas, name, iupac_name, smiles, ...])	Create an identifier for a pure substance.
IdentifierOption	Possible variants to identify a substance.
PureRecord(identifier, molarweight, model_record)	All information required to characterize a pure component.
BinaryRecord(id1, id2, model_record)	Create a record for a binary interaction parameter.
Perturbation	Type of perturbation.
UVTheoryRecord(rep, att, sigma, epsilon_k)	Create a set of UV Theory parameters from records.
UVTheoryBinaryRecord
UVTheoryParameters