Computing DM from H through eigenstates. - #470

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pfebrer wants to merge 3 commits into

zerothi:mainfrom

pfebrer:compute_dm

Commits on Mar 8, 2023

first sketch of DM computation
pfebrer
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ab707da
allow to provide eigenstates
pfebrer
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63a685e
Discovering orbital pairs on the fly using ptr
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960ecfa