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AWG - fix reading heavy elements #357

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merged 1 commit into from
Apr 8, 2024

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@agoetz agoetz commented Mar 26, 2024

Support reading as many elements as are defined in quick_constants_module. These are 92 elements. We do not have ECPs so there are not really any basis sets that we can use beyond Kr. However, at least be consistent for the future.

Closes #356

Support reading as many elements as are defined in
quick_constants_module. These are 92 elements. We do
not have ECPs so there are not really any basis sets
that we can use beyond Kr. However, at least be
consistent for the future.
@agoetz agoetz added the Bug fix label Mar 26, 2024
@agoetz agoetz requested a review from akhilshajan March 26, 2024 05:03
@akhilshajan akhilshajan self-assigned this Mar 26, 2024
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Andy everything looks good. We can merge these changes.

@agoetz agoetz merged commit 52127db into merzlab:master Apr 8, 2024
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@agoetz agoetz deleted the fix-reading-heavy-elements branch May 17, 2024 00:13
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