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πŸš€ Release v4.7.0
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mbercx authored Nov 29, 2024
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25 changes: 25 additions & 0 deletions CHANGELOG.md
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## v4.7.0

### ✨ New features

* Add `nbands_factor` logic into PdosWorkChain [[1020b02](https://github.com/aiidateam/aiida-quantumespresso/commit/1020b02c76bd3ae9783087bdf5f796380a7fdf3b)]
* ✨ `PwParser`: Add the XML schema for Quantum ESPRESSO v7.3.1 [[57e7463](https://github.com/aiidateam/aiida-quantumespresso/commit/57e7463c5727775d6a0470a41d1aca0ec4083b9a)]
* `XspectraCrystalWorkChain`: Enable Symmetry Data Inputs [[b79189d](https://github.com/aiidateam/aiida-quantumespresso/commit/b79189d7ce4756e846ab39c567ba4681474741ed)]
* Add calcjob, parser and base workchain plugin for `bands.x` [[651fd01](https://github.com/aiidateam/aiida-quantumespresso/commit/651fd0142a965ca1b03cc52f0f2f8d960936a1cd)]

### πŸ‘Œ Improvements

* `PpCalculation`: Make parsing of output files optional [[bc0d815](https://github.com/aiidateam/aiida-quantumespresso/commit/bc0d8156f3f206b76e15f0f0c0742d8b579b4722)]

### πŸ› Bug fixes

* CLI: Fix bug in `aiida-quantumespresso workflow launc pw-base` [[ea76d9b](https://github.com/aiidateam/aiida-quantumespresso/commit/ea76d9b37f78315bbf93f93fa56460c7dfe0652a)]

### πŸ“š Documentation

* Docs: Fix build by pinning `sphinx-autoapi~=3.0.0` [[91c3e1d](https://github.com/aiidateam/aiida-quantumespresso/commit/91c3e1d35939491663a697d201dcccdf90c076c6)]

### ♻️ Refactor

* `get_xspectra_structures`: Refactor and Improve Code [[210c40b](https://github.com/aiidateam/aiida-quantumespresso/commit/210c40bbc3445f55155bbb855d320afa00fa347e)]

## v4.6.0

This minor release provides several improvements and bug fixes, mostly related to the `HubbardStructureData` and XPS/XAS calculations.
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2 changes: 1 addition & 1 deletion src/aiida_quantumespresso/__init__.py
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# -*- coding: utf-8 -*-
"""The official AiiDA plugin for Quantum ESPRESSO."""
__version__ = '4.6.0'
__version__ = '4.7.0'

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