Added default values for wr/wp for Marcus Kinetics

Removed an invalid field in a Marcus type reaction in ORR.rms
ReactionMechanismGenerator · Oct 9, 2024 · e15555a · e15555a
1 parent 565bb32
commit e15555a
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Showing 2 changed files with 3 additions and 3 deletions.
diff --git a/src/Calculators/Rate.jl b/src/Calculators/Rate.jl
@@ -44,8 +44,8 @@ export Arrheniusq
     n::K
     lmbd_i_coefs::Q
     lmbd_o::K
-    wr::K
-    wp::K
+    wr::K = 0.0
+    wp::K = 0.0
     beta::B
     unc::P = EmptyRateUncertainty()
 end

diff --git a/src/testing/ORR.rms b/src/testing/ORR.rms
@@ -218,7 +218,7 @@ Reactions:
   radicalchange: 0
   reactants: [H2O2A]
   type: ElementaryReaction
-- kinetics: {A: 6.0e12, lmbd_o: 100000.0, lmbd_i_coefs: [ 2.63844404e+03  9.64948798e+00  7.41268237e-03 -6.10277107e-06], beta: 1.2e10 ,n: 1.0, d: 0.0, type: Marcus}
+- kinetics: {A: 6.0e12, lmbd_o: 100000.0, lmbd_i_coefs: [ 2.63844404e+03  9.64948798e+00  7.41268237e-03 -6.10277107e-06], beta: 1.2e10 ,n: 1.0, type: Marcus}
   products: [HOOA]
   radicalchange: 0
   electronchange: -1