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v3.1.0
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@shyuep shyuep released this 19 Jun 21:06
· 16710 commits to master since this release
v3.1.0
31de715
  • Much improved surface generation algorithm that provides for
    orthogonality constraints.
  • Transition state analysis tools! (beta)
  • Massive improvements in Outcar parsing which provides a powerful grepping
    syntax.
  • PWSCFInput generation (beta).
  • Reduce default SIGMA to 0.05 for MP input sets.
  • Update spglib to 1.7.3 as per recommendation of Togo.
  • Many bug fixes and efficiency improvements.
Assets 2