feos.uvtheory

Utilities to build UVTheoryParameters.

Example

from feos.uvtheory import UVTheoryParameters

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

Data types

Identifier

Create an identifier for a pure substance.

IdentifierOption

Possible variants to identify a substance.

PureRecord

All information required to characterize a pure component.

BinaryRecord

Create a record for a binary interaction parameter.

Perturbation

Type of perturbation.

UVTheoryRecord

Create a set of UV Theory parameters from records.

UVTheoryBinaryRecord

UVTheoryParameters