Open maxnus opened 11 months ago
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)
Thanks, in that case, for consistency, I think all solvers should be case-sensitive...
@obackhouse, @abhishekkhedkar09: I thought that CCSDt was already supported, or is that on a branch not yet merged into master?
@obackhouse, @abhishekkhedkar09: I thought that CCSDt was already supported, or is that on a branch not yet merged into master?
That's CCSDt'
Of course.
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