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TTS: "intuitive" model #34

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mattwelborn opened this issue Feb 27, 2020 · 1 comment
Open

TTS: "intuitive" model #34

mattwelborn opened this issue Feb 27, 2020 · 1 comment
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tts Related to the time-to-solution webapp
Milestone
TTS Alpha

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@mattwelborn
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TTS app needs a model that recapitulates user intuition. Key features:

  1. Monotonic w.r.t. CPU launch year, frequency, molecule, and basis set size.
  2. Roughly monotonic w.r.t. model chemistry hierarchy.
  3. Reasonable in the extrapolative regime.
@mattwelborn mattwelborn modified the milestones: RDS Alpha, TTS Alpha Feb 27, 2020
@mattwelborn mattwelborn added the tts Related to the time-to-solution webapp label Feb 27, 2020
@dgasmith
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  1. Scaling w.r.t nocc and nbf
  2. General ordering is correct w.r.t GGA/hyrbid/mGGA

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TTS Alpha
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@mattwelborn @dgasmith