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Restructure entries in species.rst
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jongyoonbae authored and speth committed Mar 18, 2023
1 parent aeca847 commit c9a0441
Showing 1 changed file with 18 additions and 4 deletions.
22 changes: 18 additions & 4 deletions doc/sphinx/yaml/species.rst
Expand Up @@ -496,12 +496,26 @@ Additional fields:

``coverage-dependencies``
Mapping where keys are the name of species whose coverage affects
thermodynamic properties of the node owner species. The map values are the
dependency parameters including ``model`` and model-specific parameters.
thermodynamic properties of the node-owner species. The map values are
the dependency entries including ``model``, model-specific parameters,
``heat-capacity-a``, and ``heat-capacity-b`` that correspond
to an individual dependency between the node-owner species and keyed species.

``model``
Dependency model that is one of the four: ``linear``, ``polynomial``,
``piecewise-linear`` or ``interpolative``.
Dependency model for coverage-dependent enthalpy or entropy. It should be
one of the four: ``linear``, ``polynomial``, ``piecewise-linear``
or ``interpolative``. The ``model`` and model-specific parameters are grouped
as follow.

``linear``: ``enthalpy``, ``entropy``

``polynomial``: ``enthalpy-coefficients``, ``entropy-coefficients``

``piecewise-linear``: ``enthalpy-low``, ``enthalpy-high``, ``enthalpy-change``,
``entropy-low``, ``entropy-high``, ``entropy-change``

``interpolative``: ``enthalpy-coverages``, ``enthalpies``, ``entropy-coverages``,
``entropies``

``enthalpy`` or ``entropy``
Slope of the coverage-dependent enthalpy or entropy used in the ``linear``
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