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Compatibility with vasppy 0.5 Procar

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@lucydot lucydot released this 18 May 15:28
· 257 commits to master since this release
v1.0.1
f63e4b3
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Learn about vigilant mode.
  • Fixes incompatibilities introduced into previous releases of vasppy (post 0.4.0.12) that changed the internal data structures for k-point and band data, and the API for interacting with these.
  • Takes advantage of new vasppy.Procar.from_file() and vasppy.Procar.from_files() methods, in particular to allow reading of multiple PROCAR files as a single dataset.
  • Passes additional keyword arguments to vasppy.Procar.from_file() to take advantage of e.g. selecting only zero-weighted k-points.
  • Minimum vasppy version set to >=0.5.0.0.
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