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Beta XRD calculator and dielectric constants

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@shyuep shyuep released this 23 May 22:56
· 21179 commits to main since this release
  1. Initial beta version of XRD pattern calculator.
  2. Pymatgen now uses spglib 1.6.0.
  3. Update to Vasprun to compute static deilectric constants with DFPT in VASP.
    (Geoffroy Hautier)