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  1. 08 Oct, 2019 1 commit
  3. 07 Oct, 2019 2 commits
    • David Dotson's avatar
      Switched hartree ScaledUnit basis to joule · ad50ced2
      David Dotson authored 
      From @peastman:

> Test cases are failing. I believe it's because the parent for a ScaledUnit needs to be a Unit, not another ScaledUnit. So in the line
>
> ```
>  hartree_base_unit = ScaledUnit(4.3597447222071e-18, joule_base_unit, "hartree", "Ha")
> ```
>
> replace joule_base_unit with joule.
      ad50ced2
    • David Dotson's avatar
      Added hartree unit. · ce85b7f7
      David Dotson authored 
      This is of immediate need to QCEngine, in particular MolSSI/QCEngine#151
      ce85b7f7
  5. 04 Oct, 2019 2 commits
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