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Capitalization of solver strings #139

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maxnus opened this issue Sep 23, 2023 · 5 comments
Open

Capitalization of solver strings #139

maxnus opened this issue Sep 23, 2023 · 5 comments

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@maxnus
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maxnus commented Sep 23, 2023

It seems that molecules/20-dump-clusters.py is broken because of some changes in the solver string capitalization rules.

In general, I would prefer if all solver strings were completely case insensitive, however I am not sure how the EBCC solvers deal with this matter?

@obackhouse

@obackhouse
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I can take a look later, but just to answer your second point, EBCC ansatz specifications are case sensitive, i.e. there is a difference between CCSDT and CCSDt (the latter isn't actually supported but it may well be in the future)

@maxnus
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maxnus commented Sep 23, 2023

Thanks, in that case, for consistency, I think all solvers should be case-sensitive...

@ghb24
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ghb24 commented Sep 23, 2023

@obackhouse, @abhishekkhedkar09: I thought that CCSDt was already supported, or is that on a branch not yet merged into master?

@obackhouse
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@obackhouse, @abhishekkhedkar09: I thought that CCSDt was already supported, or is that on a branch not yet merged into master?

That's CCSDt'

@ghb24
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ghb24 commented Sep 23, 2023

Of course.

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