Crispy

Latest version: v0.7.4

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0.3.0

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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

0.2.0

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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

0.1.0

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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

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