Skip to content

Commit 1ffceba

Browse files
committed
add nodal distances information
1 parent 0ce4d1d commit 1ffceba

File tree

1 file changed

+7
-0
lines changed

1 file changed

+7
-0
lines changed

documentation/source/users/rmg/kinetics.rst

Lines changed: 7 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -113,6 +113,13 @@ average for :math:`A` is a geometric mean, while the average for :math:`n`,
113113
If there are still no "sibling" kinetics, then the groups will continue to fall
114114
up to more and more general nodes. In the worst case, the root nodes may be used.
115115

116+
Kinetic averaging takes into account the nodal distances (the distance between a child node and its parent).
117+
By default, the nodal distance is 1, but custom values can be specified within a ``group.py`` file, in order of
118+
ascending precedence: either in a list of values for each tree e.g. ``treeDistances = [1,2,5]``,
119+
or directly assigned to an entry in the group definition e.g. ``Entry(... nodalDistance=5, )``.
120+
This may be desired in special cases where one or more child nodes matches the family but has very different
121+
kinetics, leading to poor overall tree estimates.
122+
116123
A :ref:`Full List of the Kinetics Families <kinetics_families_db>` in RMG is available.
117124

118125
Reverse Rates

0 commit comments

Comments
 (0)