Skip to content

Commit 95e7a39

Browse files
Copilotrwest
andcommitted
Fix documentation to show completedNetworks as parameter within pressureDependence()
Co-authored-by: rwest <93807+rwest@users.noreply.github.com>
1 parent 462e9fe commit 95e7a39

1 file changed

Lines changed: 16 additions & 6 deletions

File tree

documentation/source/users/rmg/input.rst

Lines changed: 16 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -889,14 +889,24 @@ RMG's estimates to a thoroughly studied network will likely make your model
889889
worse, as the original authors would have included any important reactions.
890890

891891
You can specify that certain networks should not be expanded further using the
892-
``completedNetworks`` parameter. This takes a list of chemical formulas identifying
893-
the networks that should be considered complete::
894-
895-
completedNetworks = ['CH2O2'],
892+
``completedNetworks`` parameter within the ``pressureDependence()`` block. This
893+
parameter takes a list of chemical formulas identifying the networks that should
894+
be considered complete. For example::
895+
896+
pressureDependence(
897+
method='modified strong collision',
898+
maximumGrainSize=(0.5,'kcal/mol'),
899+
minimumNumberOfGrains=250,
900+
temperatures=(300,2000,'K',8),
901+
pressures=(0.01,100,'bar',5),
902+
interpolation=('Chebyshev', 6, 4),
903+
maximumAtoms=16,
904+
completedNetworks=['CH2O2'],
905+
)
896906

897-
Multiple networks can be specified as a list::
907+
Multiple networks can be specified in the list::
898908

899-
completedNetworks = ['CH2O2', 'C2H6'],
909+
completedNetworks=['CH2O2', 'C2H6'],
900910

901911
When a network is marked as completed, RMG will not add any new reactions to it,
902912
though reactions already present in seed mechanisms will still be used.

0 commit comments

Comments
 (0)