Obviously the first update is Avogadro 1.103 Release – consequently, I’ll cover updates after the release intended for 2.0 in .. March?
Next up will be work on the plugin infrastructure and Revised Plugin Download Window
Features
- WIP: new plugin framework by ghutchis · Pull Request #2626 · OpenChemistry/avogadrolibs · GitHub
- Add faster scriptenergy protocol by ghutchis · Pull Request #2621 · OpenChemistry/avogadrolibs · GitHub
- Allow a context menu to select the partial charge model by ghutchis · Pull Request #2609 · OpenChemistry/avogadrolibs · GitHub
- Add write support for molden by ghutchis · Pull Request #2602 · OpenChemistry/avogadrolibs · GitHub
- Add simple molecular dynamics by ghutchis · Pull Request #2527 · OpenChemistry/avogadrolibs · GitHub
- now ready for further testing .. seems stable
Bug Fixes:
- Fix several bugs exposed via fuzz testing by ghutchis · Pull Request #2617 · OpenChemistry/avogadrolibs · GitHub
- Fix xyz and cjson crashes from fuzz testing by ghutchis · Pull Request #2614 · OpenChemistry/avogadrolibs · GitHub
- Ensure apply colors (both atoms and residues) is undo/redo-able by ghutchis · Pull Request #2607 · OpenChemistry/avogadrolibs · GitHub
- Refactor gradients including out-of-plane for UFF by ghutchis · Pull Request #2605 · OpenChemistry/avogadrolibs · GitHub
- fixed a variety of bugs
Build Updates:
- chore: update DOI resolver and specificationUrl by e-kwsm · Pull Request #2623 · OpenChemistry/avogadrolibs · GitHub
- Add more fuzz tests to qtgui by ghutchis · Pull Request #2625 · OpenChemistry/avogadrolibs · GitHub
- Fix a few macOS deployment issues by ghutchis · Pull Request #2622 · OpenChemistry/avogadrolibs · GitHub
- Add more methods, including detailed numpy conversion with Cube by ghutchis · Pull Request #2620 · OpenChemistry/avogadrolibs · GitHub
- Migrate to scikit-build-core by ghutchis · Pull Request #2619 · OpenChemistry/avogadrolibs · GitHub
- Add more fuzz tests by ghutchis · Pull Request #2615 · OpenChemistry/avogadrolibs · GitHub
- [skip ci] Add AGENTS and AI use policy guides by ghutchis · Pull Request #2606 · OpenChemistry/avogadrolibs · GitHub
Internationalization:
Documentation Updates: