# October 2025 Development Updates

**URL:** <https://discuss.avogadro.cc/t/october-2025-development-updates/7182>\
**Category:** Development\
**Created:** [October 5, 2025, 7:02pm UTC](https://discuss.avogadro.cc/t/october-2025-development-updates/7182 "2025-10-05T19:02:38Z")\
**Posts on this page:** 2\
**Page:** 1

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**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\
**Post date:** [October 5, 2025, 7:02pm UTC](https://discuss.avogadro.cc/t/october-2025-development-updates/7182/1 "2025-10-05T19:02:39Z")

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I anticipate a scheduled release on 23 October 2025 (“Mole Day” as part of [National Chemistry Week](https://www.acs.org/education/national-chemistry-week.html) here in the US) including a bunch of changes and fixes over the [last few weeks](https://discuss.avogadro.cc/t/september-2025-development-updates/7129/2).

Normally, I might push on to a 2.0-final release, but I’d like to get on to a [release schedule](https://discuss.avogadro.cc/t/future-release-schedule/6688) of February, June, and October. That, and I really want people to test the auto-optimize tool before a polished 2.0 release.

## ✨ Feature Enhancements:

- [Show frozen atoms or constrained bonds, atoms, torsions in the property views by ghutchis · Pull Request #2279 · OpenChemistry/avogadrolibs · GitHub](https://github.com/OpenChemistry/avogadrolibs/pull/2279)
- [Add UI support for freezing X, Y, Z axis by ghutchis · Pull Request #2276 · OpenChemistry/avogadrolibs · GitHub](https://github.com/OpenChemistry/avogadrolibs/pull/2276)
  - and [Add support for constraints and frozen Cartesian / XYZ atoms by ghutchis · Pull Request #20 · OpenChemistry/avogenerators · GitHub](https://github.com/OpenChemistry/avogenerators/pull/20)
  - Enables constraints with ORCA input

- [https://github.com/OpenChemistry/avogadrolibs/pull/2268](https://github.com/OpenChemistry/avogadrolibs/pull/2268)
- [Add auto optimize tool by ghutchis · Pull Request #2240 · OpenChemistry/avogadrolibs · GitHub](https://github.com/OpenChemistry/avogadrolibs/pull/2240)
- [Update animation tool with start and end frames by ghutchis · Pull Request #2058 · OpenChemistry/avogadrolibs · GitHub](https://github.com/OpenChemistry/avogadrolibs/pull/2058)
- [Update the about dialog to handle light-dark themes by ghutchis · Pull Request #624 · OpenChemistry/avogadroapp · GitHub](https://github.com/OpenChemistry/avogadroapp/pull/624)

## 🪲 Bug Fixes:

- [Fix selection of atoms in orthographic projection by ghutchis · Pull Request #2294 · OpenChemistry/avogadrolibs · GitHub](https://github.com/OpenChemistry/avogadrolibs/pull/2294)
- [Fix the logic - once installed with pixi, don't complain by ghutchis · Pull Request #2290 · OpenChemistry/avogadrolibs · GitHub](https://github.com/OpenChemistry/avogadrolibs/pull/2290)
- [Use the light or dark X icon for the molecule list by ghutchis · Pull Request #2289 · OpenChemistry/avogadrolibs · GitHub](https://github.com/OpenChemistry/avogadrolibs/pull/2289)
- [Fix/issue 509 add molecule button by Daniel-Aguila · Pull Request #2285 · OpenChemistry/avogadrolibs · GitHub](https://github.com/OpenChemistry/avogadrolibs/pull/2285)
- [Fix crash with undo / redo from template tool by ghutchis · Pull Request #2272 · OpenChemistry/avogadrolibs · GitHub](https://github.com/OpenChemistry/avogadrolibs/pull/2272)
- [Fix possible crashes in cube generation due to mutex locking by ghutchis · Pull Request #2267 · OpenChemistry/avogadrolibs · GitHub](https://github.com/OpenChemistry/avogadrolibs/pull/2267)
- [avogadroapp: Fix File → Close behavior (addresses OpenChemistry/avoga… by Daniel-Aguila · Pull Request #623 · OpenChemistry/avogadroapp · GitHub](https://github.com/OpenChemistry/avogadroapp/pull/623)
- [Don't start the forcefield setup at launch by ghutchis · Pull Request #2258 · OpenChemistry/avogadrolibs · GitHub](https://github.com/OpenChemistry/avogadrolibs/pull/2258)
- [Fix reading MO from Molden, including correct eV conversion by ghutchis · Pull Request #2237 · OpenChemistry/avogadrolibs · GitHub](https://github.com/OpenChemistry/avogadrolibs/pull/2237)
- [Read and write cube data and surfaces in cjson files by ghutchis · Pull Request #2230 · OpenChemistry/avogadrolibs · GitHub](https://github.com/OpenChemistry/avogadrolibs/pull/2230)
- [Make sure to read Mulliken partial charges from fchk files by ghutchis · Pull Request #2231 · OpenChemistry/avogadrolibs · GitHub](https://github.com/OpenChemistry/avogadrolibs/pull/2231)
- [fix(XYZ): fix parser of totalEnergy by e-kwsm · Pull Request #2225 · OpenChemistry/avogadrolibs · GitHub](https://github.com/OpenChemistry/avogadrolibs/pull/2225)

## 🧰 Build Updates:

- [fix: explicitly include \<cassert\> by e-kwsm · Pull Request #2288 · OpenChemistry/avogadrolibs · GitHub](https://github.com/OpenChemistry/avogadrolibs/pull/2288)
- [https://github.com/OpenChemistry/avogadrolibs/pull/2271](https://github.com/OpenChemistry/avogadrolibs/pull/2271)
- [Add calc unit tests by ghutchis · Pull Request #2269 · OpenChemistry/avogadrolibs · GitHub](https://github.com/OpenChemistry/avogadrolibs/pull/2269)
- [Fix UI and win installers by ghutchis · Pull Request #613 · OpenChemistry/avogadroapp · GitHub](https://github.com/OpenChemistry/avogadroapp/pull/613)
  - This provided both NSIS (exe) and MSIX installers for Windows

- [https://github.com/OpenChemistry/avogadrolibs/pull/2232](https://github.com/OpenChemistry/avogadrolibs/pull/2232)
- [https://github.com/OpenChemistry/avogadrolibs/pull/2234](https://github.com/OpenChemistry/avogadrolibs/pull/2234)

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<div class="post-metadata">

**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\
**Post date:** [October 5, 2025, 7:03pm UTC](https://discuss.avogadro.cc/t/october-2025-development-updates/7182/2 "2025-10-05T19:03:01Z")

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