Last month we released 1.102 and 1.102.1 and I wouldn’t be surprised if we get out another bug-fix release, although we also now have continuous releases.
Feature Enhancements:
- Add support for custom residue labels by ghutchis · Pull Request #2424 · OpenChemistry/avogadrolibs · GitHub
- Put the axes back as a scene plugin / display type by ghutchis · Pull Request #2423 · OpenChemistry/avogadrolibs · GitHub
- Updated AutoSave Feature by ghutchis · Pull Request #668 · OpenChemistry/avogadroapp · GitHub
- Fixes to constraints diaglog by jcerezochem · Pull Request #2384 · OpenChemistry/avogadrolibs · GitHub
- Update Conformer plots for RMSD and Energy by ghutchis · Pull Request #2382 · OpenChemistry/avogadrolibs · GitHub
- Support for isotope specification for atoms by ghutchis · Pull Request #2378 · OpenChemistry/avogadrolibs · GitHub
- Needs some work to get input generators updated
- Turbomole: support `$periodic` by e-kwsm · Pull Request #2379 · OpenChemistry/avogadrolibs · GitHub
- Add peptide builder by ghutchis · Pull Request #2351 · OpenChemistry/avogadrolibs · GitHub
Bug Fixes:
- Ignore some Open Babel formats for writing (e.g., png, nul) by ghutchis · Pull Request #2455 · OpenChemistry/avogadrolibs · GitHub
- Validate colors with the color button before use (e.g., cancel) by ghutchis · Pull Request #2454 · OpenChemistry/avogadrolibs · GitHub
- Validate property edits to make sure inadvertent edits set to zero by ghutchis · Pull Request #2450 · OpenChemistry/avogadrolibs · GitHub
- fix: do not discard return value of QFile::open() by e-kwsm · Pull Request #2448 · OpenChemistry/avogadrolibs · GitHub
- Fix CML support with HDF5 data files by ghutchis · Pull Request #2446 · OpenChemistry/avogadrolibs · GitHub
- Fix NWChem geometry parsing by ghutchis · Pull Request #2439 · OpenChemistry/avogadrolibs · GitHub
- Fix import of large (>1000 atom) MOPAC aux files by ghutchis · Pull Request #2426 · OpenChemistry/avogadrolibs · GitHub
- Fix off-by-one MO rendering bug with MOPAC orbitals by ghutchis · Pull Request #2422 · OpenChemistry/avogadrolibs · GitHub
- Adjust surface generation to keep winding consistent + and - mesh by ghutchis · Pull Request #2420 · OpenChemistry/avogadrolibs · GitHub
- fix(Turbomole): use `$coord angs` for read by e-kwsm · Pull Request #2418 · OpenChemistry/avogadrolibs · GitHub
- Fixed color gradient for labeling by atomic index by brockdyer03 · Pull Request #2387 · OpenChemistry/avogadrolibs · GitHub
- Enable the XRD display from other programs (just return a spectra) by ghutchis · Pull Request #2385 · OpenChemistry/avogadrolibs · GitHub
- Check for a working python in the pixi env by ghutchis · Pull Request #2377 · OpenChemistry/avogadrolibs · GitHub
- Reject invalid bond orders in cjson by ghutchis · Pull Request #2374 · OpenChemistry/avogadrolibs · GitHub
- Fix reading Molden files from ORCA with spherical basis by ghutchis · Pull Request #2373 · OpenChemistry/avogadrolibs · GitHub
- Fix reading XYZ files with no ending newline by ghutchis · Pull Request #2371 · OpenChemistry/avogadrolibs · GitHub
- Fix numeric issue with centroid and center-of-mass by ghutchis · Pull Request #2369 · OpenChemistry/avogadrolibs · GitHub
Build Updates: