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Reorganization of modules
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@shyamd shyamd released this 02 Apr 16:13
v2018.4.2
f026e12
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Major change this release is a reorganization of modules. A number of builders were not VASP specific, but can be used on other calculation codes if the appropriate materials collection is made. The reorg represents this logical distinction.

  • moved non VASP builders into a materials module
  • Add a site descriptor builder for building materials fingerprints based on order parameters
  • Added a site_similarity builder to identify materials that are structurally similar based on the order parameter fingerprint
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