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Published October 10, 2017 | Version v0.3.0
Software Open

mretegan/crispy: v0.3.0

Authors/Creators

  • 1. ESRF

Description

What's new:

  • support for L2,3 (2p) XAS, L2,3-M4,5 (2p3d) and L2,3-N4,5 (2p4d) RIXS Quanty simulations for 4f elements
  • support for L2,3 (2p) XAS RIXS Quanty simulations for 4d and 5d elements
  • support for K (1s) XAS Quanty simulations for C3v and Td symmetries including 3d-4p hybridization for 3d elements
  • interactive Gaussian broadening for 1D and 2D spectra using FFT
  • automatic determination of the number of initial Hamiltonian states

Changes:

  • refactoring of the Quanty module by separating a class dealing with the simulation details from the widget class

Files

mretegan/crispy-v0.3.0.zip

Files (596.3 kB)

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Additional details

Related works

Is supplement to
https://github.com/mretegan/crispy/tree/v0.3.0 (URL)