CHANGELOG

version 0.3.0-rc9 (Nov 16, 2022)
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* GitHub Actions for auto-release and pypi upload

version 0.3.0-rc1 (Nov 16, 2022)
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Features
* allow mixing HOMO-n and LUMO+m, and mixing multiple pairs of orbitals
* add unothresh in autocas
* add rmdegen in from_frag
* allow GHF in check_stab
Improvements
* improve api of mix, from_frag, etc.
Fix
* fix bug in act_user
* resolve bse dependency

version 0.3.0a (Jun 22, 2022)
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* GVB interface to pyNOF
* new strategies:
  + UNO -> PM LMO -> assoc. rot. -> GVB -> CASSCF
  + RHF -> proj. -> PM LMO -> pairing -> GVB -> CASSCF
  + NO -> CASSCF
* allow do pm with pyscf
* allow level_shift in mix
* add chemcore
* add flipspin guess
* improve efficiency of cidump
* upload to pypi

version 0.2.2 (Feb 24, 2022)
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* allow symmetry in autocas
* allow reading natural orbital with from_fch_noiter
* allow user-defined thresh in get_uno

version 0.2.1 (Jan 26, 2022)
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* allow SOSCF in check_stab
* support for RHF/RKS, ROHF/ROKS in check_stab
* support for UKS in from_fch_simp
* allow newton in mix; allow chg != 0 in frag
* fix bug in cidump

version 0.2.0 (Aug 29, 2021)
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* move everything to pyAutoMR.automr
* UHF -> SUHF -> CASSCF
* from_frag_tight for trying multiple frag guesses
* sort MO
* mix_tight
* cidump supports state_average_

version 0.1.1 (Jul 9, 2021)
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* dump active orbital composition
* CASSCF -> MC-PDFT

version 0.1 (Jun 27, 2021)
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* UHF -> UNO -> CASSCF
* RHF -> PM LMO -> CASSCF
* guess for UHF
  + mix
  + fragment
  + from_fch
* UHF stability
* dump CASCI coefficients