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Request: Notebook demonstrating pymatgen transformations capabillities

Open shyamd opened this issue 6 years ago • 0 comments

Requesting an example notebook of using the transformations framework in pymatgen to create structures with full provenance of how they were generated.

  • using various transformations
  • chaining transformations
  • the one to many concept
  • converting to a SNL
  • embedding provenance for original structure into SNL ( e.g. ICSD, MP, OQMD, etc. IDs and info)

shyamd avatar Mar 27 '18 14:03 shyamd