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Build Libint2 with angular momentum of 10 #250

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JoshRackers opened this issue May 11, 2022 · 3 comments
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Build Libint2 with angular momentum of 10 #250

JoshRackers opened this issue May 11, 2022 · 3 comments

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@JoshRackers
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Is it possible to build Libint2 with angular momentum greater than 7? It currently throws an error saying "Are you sure you know what you're doing?". I have density fitting basis set with very high angular momentum I'd like to test.
@loriab loriab mentioned this issue May 11, 2022
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@PhillCli
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PhillCli commented Dec 8, 2022 •
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@JoshRackers you might find this helpful.

I've pushed a change to my-fork that changes configure.ac ERRORs with WARNs, which should allow configuring libint tarball with MAX_AM greater than 7.
commit patch

@JoshRackers
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Fantastic- thanks!

@evaleev
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evaleev commented Mar 4, 2024

the hardwired limit was increased via 833ba37 in 2.8.0 , but L>10 will be usable only once #281 is merged

@evaleev evaleev closed this as completed Mar 4, 2024
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@evaleev @JoshRackers @PhillCli