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SIRIUS/6.3.0

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@toxa81 toxa81 released this 18 Jul 10:55
· 2377 commits to develop since this release
v6.3.0
5d8320d
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Learn about vigilant mode.
  • adjust to new ELPA API; old API bindings removed
  • new API functions to set/get values of the functions on the real-space FFT grid
  • change enum -> enum class everywhere
  • add test of Davidson solver
  • minor improvements in documentation and code
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