Need a basis diagnostic for SPAHM(b)

lcmd-epfl / Q-stack

Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)

MIT License

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Closed briling closed 3 months ago

briling commented 3 months ago

E.g. MINAO for I is not very good so Lowdin partitioning leaves the bond matrix empty thus the bond vector is empty

briling commented 3 months ago

or directly in the guess