Adding capability to have reverse surfaceArrhenius training reactions by mazeau · Pull Request #1884 · ReactionMechanismGenerator/RMG-Py

adding in a way to get reverse rates for surface arrhenius reactions

mazeau

authored and

rwest

committed

don't overwrite surface arrhenius data with arrheniusEP

mazeau

authored and

rwest

committed

Adding a hard-coded exception for Surface Dual Adsorption vdW

mazeau

authored and

rwest

committed

Fixing a kinetic units test in databaseTest

mazeau

authored and

rwest

committed

Fix isomorphism checking in databaseTest.

rwest

committed

adding a test to check that we can generate reverse rate coefficients for surface arrhenius

mazeau

committed

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Adding capability to have reverse surfaceArrhenius training reactions#1884

Adding capability to have reverse surfaceArrhenius training reactions#1884
mjohnson541 merged 6 commits intoReactionMechanismGenerator:masterfrom
mazeau:surface-fix

Commits on Feb 20, 2020

adding in a way to get reverse rates for surface arrhenius reactions

don't overwrite surface arrhenius data with arrheniusEP

Adding a hard-coded exception for Surface Dual Adsorption vdW

Fixing a kinetic units test in databaseTest

Fix isomorphism checking in databaseTest.

adding a test to check that we can generate reverse rate coefficients for surface arrhenius

Adding capability to have reverse surfaceArrhenius training reactions#1884mjohnson541 merged 6 commits intoReactionMechanismGenerator:masterReactionMechanismGenerator/RMG-Py:masterfrom mazeau:surface-fixmazeau/RMG-Py:surface-fixCopy head branch name to clipboard

Commits

Commits on Feb 20, 2020

adding in a way to get reverse rates for surface arrhenius reactions

don't overwrite surface arrhenius data with arrheniusEP

Adding a hard-coded exception for Surface Dual Adsorption vdW

Fixing a kinetic units test in databaseTest

Fix isomorphism checking in databaseTest.

adding a test to check that we can generate reverse rate coefficients for surface arrhenius

Adding capability to have reverse surfaceArrhenius training reactions#1884
mjohnson541 merged 6 commits intoReactionMechanismGenerator:masterfrom
mazeau:surface-fix