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restoring 2-D GA based 2-nd derivatives code #843

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merged 6 commits into from
Aug 3, 2023

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@edoapra edoapra commented Aug 2, 2023

The commits to use 3-D GA from #835 result in large performance slowdowns.
This pull request restore the original 2-D GA based 2-nd derivatives code.
The 3-D GA code can still be enabled with the directive

set dft:dm3d t

@nwchemgit nwchemgit merged commit 4e03ee8 into nwchemgit:master Aug 3, 2023
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