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Third Major Release

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@shyamd shyamd released this 09 Mar 18:35
v2018.3.9
f8d7d8b

Another major release for Emmet. We've had a lot of changes.

  • Addition of an MPWorks conversion builder to change the task document style from the old MPWorks code to the new atomate workflow code
  • We have a working elasticity builder
  • Complete overhaul of the production MP Document builder
  • Added a topology builder to get topology from the CHGCar
  • Added a SiteDescriptor builder to compute order parameters for structures
  • Added a MLBuilder to extract structures for input to machine learning algorithms
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