v1.2.0
What's Changed
This release adds several new features and fixes. In particular, the new command line interface and
the possibility of calculating the Pockels tensor in the post-processing of a VibrationalData node
represent the major additions to the new version. Conveniently, now the PhononWorkChain can run
concurrently up to a maximum number of PwBaseWorkChain, which is very helpful to run phonons locally,
or to avoid high usage of an HPC, especially when the calculation are short or when the space on disk
needed is large (making a submission "in batches" key solution).
✨ New features
🙏 New contributions
- @vdemestral has signed the CLA in #67[81367a0]
👌 Improvements
PhononWorkChain: add max concurrent running pw workchains [07c67bf]
🐛 Bug fixes
DielectricWorkChain: fix validator [85ecb45]
📚 Documentation
- 📚 Docs: add reference article badge [35aac4c]
- Docs: replace emojis MD with associated symbol [4a22c1c]
- Add clamped Pockels calculation capability [a4512de]
🔧 Maintenance
- Fix CI after CLA bot [7b6ef34]
⬆️ Update dependencies
- DevOps: update docs dependencies [d72c86b]
- DevOps: update actions version in github workflows [7ca172c]
Full Changelog: v1.1.1...v1.2.0
Contributors
vdemestral