* Support for python 3.12, scipy 1.14 and numpy 2.0 * Compatibility with pymatgen v2024.9.10 * Abipy can now read magmoms from the GSR file * Workflows and post-processing tools for photoluminescence calculations. * Additional tools for post-processing E-PH calculations.
0.9.6
* Version compatible with aiida-common-workflows.
0.9.5
* Force make_dte_inputs to consider the psp to be in LDA * Fix ngfft issue when going to DTE * Force DTE to overwrite nband and nbdbuf to number of VBs and 0 respectively
0.9.4
* pymatgen == 2023.7.17 is highly recommended.
0.9.3
* Require pymatgen >= 2023.3.23 * Add ``ndivsm`` argument to PhononWork and EffMassLineWork to activate band structure computation along k-path. * Add new option to TaskManager (`limits_for_task_class`) to specify custom limits depending on the name of the task class. See `abidoc.py manager` for syntax * Deprecate `single` and `rapid` commands of abirun.py.
0.9.2
* Require pymatgen >= 2022.0.14 * Add abiview.py ifermi_fs * G0W0WithQptdmFlow is deprecated and will be removed in v 0.9.3 * Add abigui.py script * Add abilab.abirobot function to create a Robot from a list of filepaths. * Add plotly version of fatbands * Support for dipquad and quadquad