Code tidying - Githubissues

graphcore-research / pyscf-ipu

PySCF on IPU

Apache License 2.0

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Open awf opened 9 months ago

awf commented 9 months ago

Once we have a check for performance regressions (#98) it would be good to

[ ] Unify naming of mask, occupancy
[ ] Replace (eigvects * occupancy) @ eigvects.T with eigvects @ diag(occupancy) @ eigvects.T

Assuming no regressions