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added note about speciesCuttingThreshold to input section of document…
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donerancl committed Apr 12, 2024
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Expand Up @@ -995,6 +995,7 @@ all of RMG's reaction families. ::
maximumCarbeneRadicals=0,
maximumIsotopicAtoms=2,
allowSingletO2 = False,
speciesCuttingThreshold=20
)

An additional flag ``allowed`` can be set to allow species
Expand All @@ -1004,6 +1005,9 @@ products that form.

By default, the ``allowSingletO2`` flag is set to ``False``. See :ref:`representing_oxygen` for more information.

Note that ``speciesCuttingThreshold`` is set by default to 20 heavy atoms. This means that if a species containing
20 or more heavy atoms is generated, it will be automatically split into fragments to save computational resources.
If fragments are not desired, the ``speciesCuttingThreshold`` may be set to an arbitrarily large number.

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