1. 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
  2. 02 Nov, 2016 1 commit
  3. 01 Nov, 2016 1 commit
  4. 19 Jun, 2015 1 commit
    • Jason Swails's avatar
      A large number of unit cleanups and fix numpy wart · 4ae68749
      Jason Swails authored
      The main thing that's done here is that numpy arrays can be given units via the
      * operator, rather than relying on the Quantity constructor
      
      e.g.,
      
      >>> import numpy as np
      >>> np.zeros(10) * u.angstroms
      Quantity(value=array([ 0.,  0.,  0.,  0.,  0.,  0.,  0.,  0.,  0.,  0.]), unit=angstrom)
      
      yay!
      4ae68749
  5. 12 Jul, 2013 1 commit
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  10. 15 Nov, 2011 1 commit
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  12. 26 Feb, 2011 1 commit