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Add RHF embedding into Molecule class #11

Merged

chmwzc merged 4 commits into main from dev_rhf_embedding

Mar 14, 2023

Contributor

chmwzc commented Mar 1, 2023

Added two new class functions to the Molecule class implementing RHF embedding.
Tentatively, will implement UCC next, then write up an example notebook/script with LiH

chmwzc added 4 commits

February 22, 2023 17:34


          (Draft) RHF embedding added into Molecule class

0106f8f

Yet to check anything!


          Tidy up molecule.py further

c127c43


          Fix minor typo in setup.py

1f388a7


          Minor convenience edits

dbc945a

chmwzc merged commit 13d9c5a into main

chmwzc deleted the dev_rhf_embedding branch

March 14, 2023 08:15

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