Continuing on August updates for the v2.1 release on Oct. 23rd. I would anticipate a “freeze” on October 1st to allow time for bug-fixes, documentation updates and translations to catch up.
Like last month, I’ll have a separate thread for new and updated plugins.
Features
- https://github.com/OpenChemistry/avogadrolibs/pull/3015
- Add authors, download count and bug tracker link to plugin window by ghutchis · Pull Request #3012 · OpenChemistry/avogadrolibs · GitHub
- https://github.com/OpenChemistry/avogadrolibs/pull/3006
- Add support for transparent compression IO by ghutchis · Pull Request #2994 · OpenChemistry/avogadrolibs · GitHub
- Allow drag-and-drop to reorder atoms in the property table by ghutchis · Pull Request #2993 · OpenChemistry/avogadrolibs · GitHub
- https://github.com/OpenChemistry/avogadrolibs/pull/2990
- Add shared camera controls for all tools / modes by ghutchis · Pull Request #2972 · OpenChemistry/avogadrolibs · GitHub
- Camera Controls with Virtual Trackball by vaclavhanzl · Pull Request #2962 · OpenChemistry/avogadrolibs · GitHub
- Extend PlotConformer scan coordinate support by jcerezochem · Pull Request #2840 · OpenChemistry/avogadrolibs · GitHub
Bug Fixes:
- Rather than create duplicate constraints, edit the existing one by ghutchis · Pull Request #3034 · OpenChemistry/avogadrolibs · GitHub
- Fix fuzz format crashes by ghutchis · Pull Request #3032 · OpenChemistry/avogadrolibs · GitHub
- Fix fuzz failure in RWMolecule::addBond by ghutchis · Pull Request #3027 · OpenChemistry/avogadrolibs · GitHub
- Fix a fuzz bug in XYZ reading via perceive bond orders by ghutchis · Pull Request #3017 · OpenChemistry/avogadrolibs · GitHub
- Add a try / catch guard for file IO in production builds by ghutchis · Pull Request #3016 · OpenChemistry/avogadrolibs · GitHub
- Set the default filename in input generators by ghutchis · Pull Request #3013 · OpenChemistry/avogadrolibs · GitHub
- Fix a crash with the measure tool when deleting atoms by ghutchis · Pull Request #3011 · OpenChemistry/avogadrolibs · GitHub
- Add a checkbox for adjusting bond lengths during edit by ghutchis · Pull Request #3008 · OpenChemistry/avogadrolibs · GitHub
- Add a button to insert dummy atoms for linear molecules by ghutchis · Pull Request #3007 · OpenChemistry/avogadrolibs · GitHub
- Added tests to check basis set normalization and orthogonality by ghutchis · Pull Request #3000 · OpenChemistry/avogadrolibs · GitHub
- Allow a click-and-drag navigation to focus on a particular atom by ghutchis · Pull Request #2996 · OpenChemistry/avogadrolibs · GitHub
- Add a blur step to the ambient occlusion by ghutchis · Pull Request #2995 · OpenChemistry/avogadrolibs · GitHub
- https://github.com/OpenChemistry/avogadrolibs/pull/2988
- Fix bug with underflow on reading a Q-Chem cube file by ghutchis · Pull Request #2987 · OpenChemistry/avogadrolibs · GitHub
- Ensure player, plotconformer and properties agree on active conformer by ghutchis · Pull Request #2986 · OpenChemistry/avogadrolibs · GitHub
- Some fixes for the 'generic output' fail on Windows by ghutchis · Pull Request #2985 · OpenChemistry/avogadrolibs · GitHub
- Insert the modelView and camera projection matrix into CJSON by ghutchis · Pull Request #2977 · OpenChemistry/avogadrolibs · GitHub
- Add some more bullet-proof code for installing packages by ghutchis · Pull Request #2976 · OpenChemistry/avogadrolibs · GitHub
- Fix potential crash from uninitialized OB member variables by ghutchis · Pull Request #2971 · OpenChemistry/avogadrolibs · GitHub
- Fix a bug when dragging a window to a new monitor by ghutchis · Pull Request #2970 · OpenChemistry/avogadrolibs · GitHub
- Add an idealBondLength method to correct covalent radii sum by ghutchis · Pull Request #2969 · OpenChemistry/avogadrolibs · GitHub
- Fix a few minor issues in the PyPI connect module for JSON-RPC by ghutchis · Pull Request #2967 · OpenChemistry/avogadrolibs · GitHub
- This will also make it a bit easier to perform automated testing of the GUI features
- Fix table type for plugin JSON by ghutchis · Pull Request #2966 · OpenChemistry/avogadrolibs · GitHub
Build Fixes:
- Add a Windows fuzz test using clang by ghutchis · Pull Request #3023 · OpenChemistry/avogadrolibs · GitHub
- Add a Windows AddressSanitizer run to check for issues by ghutchis · Pull Request #3022 · OpenChemistry/avogadrolibs · GitHub
- Sync the GitHub build action with the regular Windows one by ghutchis · Pull Request #2973 · OpenChemistry/avogadrolibs · GitHub