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Software Open Access

matador: v0.9.9

Evans, Matthew L.

Supervisor(s)
Morris, Andrew J.

matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery electrode materials.

0.9.9 (#131)

  • Added support for CASTEP kpoint path BREAK directive (#107)
  • Improvements to magres plotting and magres workflow (#112)
  • Added ability to scrape electric field gradient values and compute quadrupolar quantities from NMR calculations (#115)
  • Added ability to run all several examples under Binder (#106, #130).
  • JOSS paper accepted! (#129)
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ml-evs/matador-0.9.9.zip
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