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v0.3.0

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@mretegan mretegan released this 10 Oct 15:44
v0.3.0
120636b
  • Added support for L2,3 (2p) XAS, L2,3-M4,5 (2p3d) and L2,3-N4,5 (2p4d) RIXS calculations for 4f elements.
  • Added support for L2,3 (2p) XAS calculations for 4d and 5d elements.
  • Added support for K (1s) XAS calculations for C3v and Td symmetries including 3d-4p hybridization for 3d elements.
  • Added interactive Gaussian broadening for 1D and 2D spectra using FFT.
  • The number of initial Hamiltonian states is now determined automatically.
  • The Quanty module was refactored.
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