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GEMDAT-repos / GEMDAT

Python toolkit for molecular dynamics analysis
https://gemdat.readthedocs.io
Apache License 2.0
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Tweak method names and update default dimensions #301

Closed stefsmeets closed 5 months ago

stefsmeets commented 5 months ago

This PR makes some small changes to the code after discussions with @v9lgraf @tfamprikis

  1. Rename ionic_conductivity to tracer_diffucivity_center_of_mass.
  2. Set default dimensions=3 (it can still be configured)
  3. Rename Orientations.conventional() -> Orientations.transform()