Changelog

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

Changes:

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