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restoring 2-D GA based 2-nd derivatives code #844

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merged 4 commits into from
Aug 4, 2023

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@edoapra edoapra commented Aug 3, 2023

Follow-up to #843
It turns out that the slow-down (very noticeable on containers) was not due to the new 3-D GA code.
Instead, it was due to overhead of the file-system checks introduced by commit 12cc39a .
Commits 0b24a6f and 38bb51b should make the file-system check less intrusive.

@nwchemgit nwchemgit merged commit 26a4171 into nwchemgit:master Aug 4, 2023
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