Fix Forte [Psi Part] #2505
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Fix Forte [Psi Part] #2505
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This was referenced Mar 26, 2022
loriab
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Mar 26, 2022
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I don't think psi fails in the presence of the longstanding ambit with this PR, so no need to insist on new tag. You could update https://github.com/psi4/psi4/blob/master/external/upstream/ambit/CMakeLists.txt#L30 here once the ambit PR is merged (do a few characters of sha instead of the tag).
lgtm!
jturney
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Mar 26, 2022
fevangelista
approved these changes
Mar 26, 2022
|
This is a nice feature! Is there a good place (perhaps a docstring) to explicitly state that DIIS is now compatible with ambit tensors? |
Added. Some changes were requested in the |
zachglick
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Apr 18, 2022
* Fixes for Forte: can now DIIS ambit.BlockedTensor * Misc. changes
zachglick
pushed a commit
to zachglick/psi4
that referenced
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Apr 18, 2022
* Fixes for Forte: can now DIIS ambit.BlockedTensor * Misc. changes
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Description
This PR makes changes so that
Psican do DIIS on anambit.BlockedTensor, as required by theforteplugin. This PR will not work until this ambit PR is merged, but passes locally. The test suite tells us little about this one, sadly.@loriab, I leave it up to you whether this warrants an update to the version of ambit that Psi takes.
@fevangelista @lcyyork
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