Skip to content

parameters.md

Latest commit

 

History

History
55 lines (41 loc) · 1.09 KB

parameters.md

File metadata and controls

55 lines (41 loc) · 1.09 KB

Parameter handling

In FeOs parameters can be read from JSON files or created manually by combining pure-component parameters and binary interaction parameters.

Parameters and GcParameters

The core data types for parameter handling in FeOs are Parameters for regular component-specific parameters and GcParameters for group-contribution models.

.. currentmodule:: feos

.. autosummary::
    :toctree: generated/

    Parameters
    GcParameters

Methods to build Parameters


.. autosummary::
    Parameters.from_records
    Parameters.new_pure
    Parameters.new_binary
    Parameters.from_json
    Parameters.from_multiple_json

Methods to build GcParameters


.. autosummary::
    GcParameters.from_segments
    GcParameters.from_json_segments
    GcParameters.from_smiles
    GcParameters.from_json_smiles

Other data types


.. autosummary::
    :toctree: generated/

    Identifier
    IdentifierOption
    PureRecord
    SegmentRecord
    BinaryRecord
    BinarySegmentRecord
    ChemicalRecord
    SmartsRecord