From fa29eeeb1ed187c50a29a2ad5fdab7945147185c Mon Sep 17 00:00:00 2001 From: Anna Doner Date: Fri, 12 Apr 2024 16:34:37 -0400 Subject: [PATCH] added note about speciesCuttingThreshold to input section of documentation --- documentation/source/users/rmg/input.rst | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/documentation/source/users/rmg/input.rst b/documentation/source/users/rmg/input.rst index 33814e3f84..c5cd2ef913 100644 --- a/documentation/source/users/rmg/input.rst +++ b/documentation/source/users/rmg/input.rst @@ -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 @@ -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. Staging ========