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update CHANGELOG
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jeanwsr committed Nov 16, 2022
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20 changes: 19 additions & 1 deletion CHANGELOG
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version 0.3.0 (Jun 13, 2022)
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
Expand All @@ -10,20 +24,24 @@ version 0.3.0 (Jun 13, 2022)
* 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
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