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Add BASIS_MOLOPT_UCL #6

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pierre-24 opened this issue Dec 15, 2022 · 0 comments · Fixed by #11
Closed
3 tasks done

Add BASIS_MOLOPT_UCL #6

pierre-24 opened this issue Dec 15, 2022 · 0 comments · Fixed by #11
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library Add something to the library

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pierre-24 commented Dec 15, 2022 •
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See https://github.com/cp2k/cp2k/blob/master/data/BASIS_MOLOPT_UCL, provide other MOLOPT-SR basis sets with, normally, no overlap with existing ones.

  • Add the file
  • Have a list of all the file included somewhere
  • Update doc
@pierre-24 pierre-24 added the library Add something to the library label Dec 15, 2022
@pierre-24 pierre-24 mentioned this issue Dec 15, 2022
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Add BASIS_MOLOPT_UCL pierre-24/cp2k-basis
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