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Merge pull request #2601 from donerancl/main
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Add documentation about `speciesCuttingThreshold`
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JacksonBurns authored Apr 15, 2024
2 parents 6ed6b7e + 4bcd09f commit 7519944
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4 changes: 4 additions & 0 deletions documentation/source/users/rmg/input.rst
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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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