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Add pop-up menu for choosing calculation level

Open ghutchis opened this issue 9 years ago • 0 comments

This semester we will have the first batch of new calculation levels.

Right now, all molecules are computed using PM7. Soon we'll need to show different properties (and error bars) for different calculation levels:

  • PM7
  • DFT (wB97X-D)
  • DFT (B3LYP) .. (etc)
screen shot 2016-02-10 at 9 26 03 pm

ghutchis avatar Feb 11 '16 02:02 ghutchis