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big elastic PR #61

Merged
merged 101 commits into from
Sep 14, 2018
Merged

big elastic PR #61

merged 101 commits into from
Sep 14, 2018

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montoyjh
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@montoyjh montoyjh commented Sep 7, 2018

PR for elastic infrastructure.

  • Adds TOEC building
  • Adds more robust symmetry population
  • Fixes a few issues in MPWorks builder
  • Updates tensor imports to new pymatgen
  • Uses TensorMapping to speed up TOEC fitting
  • Adds a profiler mode to elastic unit test
  • Adds a propjockey prioritizer

We'll probably need to wait to merge until the next pymatgen release. There's still a few parts that are rough around the edges, but I've waited too long to merge this already, so I figured I'd get the ball rolling.

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@montoyjh
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Okay I think the bugs are ironed out, including some in other builders (criteria/properties reversal and renaming some imports in the structure similarity builder mostly), so this is ready to merge.

@shyamd
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shyamd commented Sep 14, 2018

Is this ready to merge in?

@shyamd shyamd merged commit 1d4a992 into materialsproject:master Sep 14, 2018
utf referenced this pull request in utf/emmet May 8, 2021
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2 participants