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v0.3.0-rc1

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@jeanwsr jeanwsr released this 16 Nov 11:56
· 29 commits to master since this release

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