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ReactionMechanismGenerator / RMG-Py Public

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import statements in unit tests outdated.#71

Merged

rwest merged 9 commits intoReactionMechanismGenerator:masterReactionMechanismGenerator/RMG-Py:masterfrom rwest:testsCopy head branch name to clipboard

Jul 13, 2012

+276-132

Conversation Commits9 (9)Checks Files changed

Commits

Commits on Jun 20, 2012

Add fromSMILES method to Species class.
rwest
committed
Attempt to fix old unit tests in unittest/rmg/ folder
rwest
committed
Some more attempts to fix unit tests. These are really broken!
rwest
committed

Commits on Jun 29, 2012

Fixed paths in testLoadEthyleneFromGaussianLog and testLoadOxygenFromGaussianLog
sean-v8
committed
Fixed RigidRotor definition in testModesForOxygen
sean-v8
committed
Fixed Arrhenius definition in testFitToData
sean-v8
committed
Modified testFreeEnergy functions to assert equality to 9 decimal places
sean-v8
committed

Commits on Jul 2, 2012

Added more unit tests for the atomtype module
sean-v8
committed
Minor comment cleanup
sean-v8
committed

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