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F trap for cEW enabled QM/MM #335

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merged 2 commits into from
Mar 13, 2024
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@Madu86 Madu86 commented Mar 12, 2024

I have implemented a trap for F functions if the user tries to run cEW-enabled QM/MM with high angular momentum basis sets. This resolves #329. Please test and merge.

@Madu86 Madu86 added the enhancement New feature or request label Mar 12, 2024
@Madu86 Madu86 requested a review from agoetz March 12, 2024 02:35
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Looks good.

@agoetz agoetz merged commit 2a0d1e1 into master Mar 13, 2024
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Add trap for cEW with f functions
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