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v0.3.0

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@github-actions github-actions released this 03 Oct 08:23
· 14 commits to master since this release

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  • 73b6a31: improve mix and from_frag (hebrewsnabla)
  • 0e2842d: fix _from_frag spin (hebrewsnabla)
  • b1a8b1d: Update README [ci skip] (Shirong_Wang)
  • 6325f2c: bump version (hebrewsnabla)
  • 5390f47: Merge branch 'master' of github.com:hebrewsnabla/pyAutoMR (hebrewsnabla)
  • 748ac6c: Update README.md (Shirong_Wang)
  • 9c2d0a1: Merge branch 'master' of github.com:hebrewsnabla/pyAutoMR (hebrewsnabla)
  • 011172a: release 0.3.0-rc12 (hebrewsnabla)
  • auto_schedule (jeanwsr)
  • 27cfefe: partly support sfx2c (hebrewsnabla)
  • 0adf5b1: add verbose for mix (jeanwsr)
  • 3dac2af: allow noiter in gen (hebrewsnabla)
  • 1ea7ab3: update flipspin (hebrewsnabla)
  • c5a6689: Merge branch 'master' of github.com:hebrewsnabla/pyAutoMR (hebrewsnabla)
  • 9e575b4: update for mokit.lib (hebrewsnabla)
  • 44b846a: fix pm instability (hebrewsnabla)
  • 440db6a: add mf_or_mol for _mix; mcpdft backend update (hebrewsnabla)
  • 982dac4: bump to rc14 (hebrewsnabla)
  • e03be5d: fix (hebrewsnabla)
  • d2b5dd2: fix (hebrewsnabla)
  • 28e2695: Update README.md (Shirong_Wang)
  • d215e88: update timer, verbose; fix bug for uks mix (hebrewsnabla)
  • bf93d19: Merge branch 'master' of github.com:hebrewsnabla/pyAutoMR (hebrewsnabla)
  • bab61ee: Create guess.md (Shirong_Wang)
  • fdf6157: Update guess.md (Shirong_Wang)
  • 7b2b44e: fix ss check; add ot preset (hebrewsnabla)
  • 556945f: better support for mf_or_mol in from_frag, flipspin; add to_u; add argument pair for mix (hebrewsnabla)
  • 883cc2d: add cmo for flipspin (hebrewsnabla)
  • 491ce4a: update doc (hebrewsnabla)
  • 102bb3b: add numint; add driver and related util (hebrewsnabla)
  • 26e9105: update changelog (hebrewsnabla)
  • fd92074: update driver, fchk interface (hebrewsnabla)
  • e893b97: update config util (hebrewsnabla)
  • 189b06d: update driver (hebrewsnabla)
  • 1269367: release 0.3.0 (hebrewsnabla)