Published July 13, 2024
| Version v0.10.1
Software
Open
quacc – The Quantum Accelerator
Authors/Creators
- 1. Department of Chemical and Biological Engineering, Princeton University
Description
[0.10.1]
Changed
- Overhauled type hinting system
Fixed
- Fixed breaking change from monty 07.12.2024
- Fixed a variety of incompatible type hints
What's Changed
- Update run_jenkins_tests.sh by @Andrew-S-Rosen in https://github.com/Quantum-Accelerators/quacc/pull/2327
- Fix mypy issues in calculators and schema modules by @AitElBadaoui in https://github.com/Quantum-Accelerators/quacc/pull/2326
- tests: improve error handling by @AitElBadaoui in https://github.com/Quantum-Accelerators/quacc/pull/2329
- Bugfix/espresso nscf kspacing by @nerdwarrior in https://github.com/Quantum-Accelerators/quacc/pull/2330
- Bump pydantic from 2.8.0 to 2.8.2 by @dependabot in https://github.com/Quantum-Accelerators/quacc/pull/2332
- Bump phonopy from 2.25.0 to 2.26.2 by @dependabot in https://github.com/Quantum-Accelerators/quacc/pull/2331
- Bump parsl[monitoring] from 2024.6.24 to 2024.7.1 by @dependabot in https://github.com/Quantum-Accelerators/quacc/pull/2333
- Bump dask[distributed] from 2024.6.2 to 2024.7.0 by @dependabot in https://github.com/Quantum-Accelerators/quacc/pull/2334
- zpath(Path) -> zpath(str(Path)) by @zulissimeta in https://github.com/Quantum-Accelerators/quacc/pull/2336
- Bump parsl[monitoring] from 2024.7.1 to 2024.7.8 by @dependabot in https://github.com/Quantum-Accelerators/quacc/pull/2338
- Bump phonopy from 2.26.2 to 2.26.4 by @dependabot in https://github.com/Quantum-Accelerators/quacc/pull/2337
- Bump prefect[dask] from 2.19.7 to 2.19.8 by @dependabot in https://github.com/Quantum-Accelerators/quacc/pull/2340
- Bump monty from 2024.5.24 to 2024.7.12 by @dependabot in https://github.com/Quantum-Accelerators/quacc/pull/2339
New Contributors
- @nerdwarrior made their first contribution in https://github.com/Quantum-Accelerators/quacc/pull/2330
Full Changelog: https://github.com/Quantum-Accelerators/quacc/compare/v0.10.0...v0.10.1
Notes
Please cite this work as follows if you use quacc.
Files
Quantum-Accelerators/quacc-v0.10.1.zip
Files
(36.1 MB)
| Name | Size | Download all |
|---|---|---|
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md5:f5a2b9e23421be9de5f4c61cc3926270
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Additional details
Related works
- Is supplement to
- Software: https://github.com/Quantum-Accelerators/quacc/tree/v0.10.1 (URL)