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Ignore PCET vdW families for surface coverage test
(TMP) Switch database branch to lithium_rebase (TMP) Disabled lithium species for AEC/BAC tests
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.github/workflows/CI.yml

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@@ -46,7 +46,7 @@ concurrency:
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env:
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# if running on RMG-Py but requiring changes on an un-merged branch of RMG-database, replace
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# main with the name of the branch
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RMG_DATABASE_BRANCH: lithium
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RMG_DATABASE_BRANCH: lithium_rebase
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jobs:

arkane/encorr/ae.py

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@@ -74,8 +74,9 @@
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'Methyl',
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'Ammonia',
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'Chloromethane',
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'Lithium Hydride',
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'Lithium Fluoride'
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# Lithium species shall be uncommented after we reconcile the difference in AECs and BACs
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# 'Lithium Hydride',
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# 'Lithium Fluoride'
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]
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test/database/databaseTest.py

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@@ -132,7 +132,9 @@ def test_kinetics(self):
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), "Kinetics surface family {0}: entries have surface attributes?".format(family_name)
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if family_name not in {
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"Surface_Proton_Electron_Reduction_Alpha",
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"Surface_Proton_Electron_Reduction_Alpha_vdW",
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"Surface_Proton_Electron_Reduction_Beta",
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"Surface_Proton_Electron_Reduction_Beta_vdW",
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"Surface_Proton_Electron_Reduction_Beta_Dissociation",
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}:
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with check:

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