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ReactionMechanismGenerator / ReactionMechanismSimulator.jl Public

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Marcus Kinetics #247

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mjohnson541 wants to merge 20 commits intomainReactionMechanismGenerator/ReactionMechanismSimulator.jl:mainfrom

marcusReactionMechanismGenerator/ReactionMechanismSimulator.jl:marcusCopy head branch name to clipboard

Conversation Commits20 (20)Checks Files changed

Open

Marcus Kinetics #247
mjohnson541 wants to merge 20 commits intomainfrom
marcus

Commits

Commits on Sep 21, 2024

include electronchange in reaction reconstruction in phase
mjohnson541
committed
add Marcus kinetics type and allow dGrxn dependence of kinetics
mjohnson541
committed
handle dGrxn and d dependence of reactions in interfaces and phase calculations
mjohnson541
committed
adapt Domains to dGrxn and d dependence of forward rate coefficient calculations
mjohnson541
committed
add a Marcus reaction to the ORR.rms mechanism for testing
mjohnson541
committed
fix variable naminng
mjohnson541
committed

Commits on Sep 23, 2024

update documentation build action
mjohnson541
committed
loosen solve tolerances
mjohnson541
committed
fix getKc call in ReactiveInternalInterface
mjohnson541
committed
add phi and d to newer domains
mjohnson541
committed
doc build tweak
mjohnson541
committed

Commits on Sep 25, 2024

phase electron change fixes
mjohnson541
committed
missing domain tweaks for phi/d
mjohnson541
committed
fix typo
mjohnson541
committed
tweak docs build
mjohnson541
committed
tweak docs
mjohnson541
committed
fix FragmentBasedReactiveFilmGrowthInterfaceConstantT interface
mjohnson541
committed
fix
mjohnson541
committed
revert documentation
mjohnson541
committed
add documentation workflow
mjohnson541
committed

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