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CASSCF and CASCI with PySCF #92

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avirshup opened this issue Aug 28, 2016 · 1 comment
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CASSCF and CASCI with PySCF #92

avirshup opened this issue Aug 28, 2016 · 1 comment

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@avirshup
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avirshup commented Aug 28, 2016 •
edited

Story: mdt.models.PySCF accepts theories 'casscf' and 'casci'

Will require:

  • parameters for active space and state averaging selection
  • Definitions for multistate properties
  • CI Vector definitions and support

(this was originally part of #33)
@avirshup avirshup mentioned this issue Aug 28, 2016
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@avirshup
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These are now available as part of the 0.7.3 release - bdaef4d

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