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Pyautomr

Latest version: v0.3.0rc12

Safety actively analyzes 702367 Python packages for vulnerabilities to keep your Python projects secure.

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0.1.1

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* dump active orbital composition
* CASSCF -> MC-PDFT

0.1

--------------------------
* UHF -> UNO -> CASSCF
* RHF -> PM LMO -> CASSCF
* guess for UHF
+ mix
+ fragment
+ from_fch
* UHF stability
* dump CASCI coefficients

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