v0.7.4 (2023-03-08)

A bug-fixing release to make the package installable using pip.

v0.7.3 (2019-06-26)

This is a bug-fixing release.

v0.7.2 (2019-02-01)

What’s new:

  • XES calculations for 3d transition metals

  • update the Quanty version in the package installers

v0.7.1 (2018-10-07)

What’s new:

  • ligand field calculations for the lanthanides and actinides

  • add MLCT (in addition to the existing LMCT) term to the transition metals

v0.7.0 (2018-09-26)

What’s new:

  • a dialog to display details about the results

  • D3h symmetry

  • the package installers now contain the 2018 Autumn version of Quanty

v0.6.3 (2018-06-11)

What’s new:

  • improved documentation

  • removed all loops from RIXS calculations

  • add back the ligand-field term for Td symmetry

v0.6.2 (2018-06-08)

What’s new:

  • the package installers now contain the 2018 Summer version of Quanty

  • speedup of the RIXS calculations

v0.6.1 (2018-06-05)

This is a bug-fix release.

v0.6.0 (2018-06-03)

What’s new:

  • XPS calculations

  • automatic check for updates

  • important changes to Quanty templates

v0.5.0 (2018-03-26)

What’s new:

  • editable calculations labels

  • legend on the plot canvas

  • preferences and about dialogs

  • simplified context menu for the results tab

  • new set of icons

  • support for the first half of the 5f elements

v0.4.2 (2018-02-02)

This is a bug fix release.

v0.4.0 (2018-01-28)

What’s new:

  • support for M4,5 (3d) XAS calculations for 4f elements

  • support for XMCD and X(M)LD calculations

  • support for polarization dependence

  • spectra are shifted by the experimental edge energy

  • updated core-hole lifetimes

  • energy dependent broadening for L2,3 (2p) and M4,5 (3d) edges

v0.3.0 (2017-10-10)

What’s new:

  • support for L2,3 (2p) XAS, L2,3-M4,5 (2p3d) and L2,3-N4,5 (2p4d) RIXS calculations for 4f elements

  • support for L2,3 (2p) XAS calculations for 4d and 5d elements

  • support for K (1s) XAS calculations 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


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

v0.2.0 (2017-04-25)

What’s new:

  • support for K-L2,3 (1s2p) and L2,3-M4,5 (2p3d) RIXS calculations

  • logging console displaying the output of the calculation

  • context menu for the calculations panel

  • serialization of the calculations

v0.1.0 (2016-08-21)

The first release of Crispy:

  • support for the calculation of core-level spectra using Quanty, including:

    • K (1s), L1 (2s), L2,3 (2p), M1 (3s), M2,3 (3p) XAS for transition metals

    • Oh and D4h symmetries

    • crystal field and ligand field models

  • interactive plotting of the results

  • abstract list model and tree model to display/modify the input parameters