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Eigen refactor #201
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Eigen refactor #201
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@jwaldrop107 this is r2g. |
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jwaldrop107
reviewed
Mar 3, 2025
jwaldrop107
previously approved these changes
Mar 3, 2025
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Description
allocator::Eigenandbuffer::Eigenbeing templated on the rank is causing problems in contractions. Realistically,allocator::Eigenshould be able to allocate anybuffer::Eigenbased on RUNTIME information. This PR type erases the rank from the public API to accomplish this (the PIMPL is only templated on the floating point type).Note this PR is going to be API breaking to anything that was directly touching Eigen tensors cough SCF and Integrals cough.
TODOs
I think I have moved all the functions to source that need moved. I still need to:
allocator::Eigento support initializing the buffer.allocator::Replicatedto support getting elements.I do not intend to fix the contraction issue @jwaldrop107 found in this PR (this PR is big enough already). I'll tackle that in the next PR.