Published September 21, 2025
| Version v1.0.4
Software
Open
quacc – The Quantum Accelerator
Authors/Creators
- 1. Department of Chemical and Biological Engineering, Princeton University
Description
[1.0.4]
Added
- A MatPES-compatible job
Changed
- Set ALGO = Normal for DefaultSetHybrid instead of ALGO = All
- When ALGO = All in VASP, ISEARCH is set to 1 per the VASP manual.
Fixed
- Fixed various type hints
Removed
- Removed the deprecated Rosen sets
Full Changelog: https://github.com/Quantum-Accelerators/quacc/compare/v1.0.3...v1.0.4
Notes
Please cite this work as follows if you use quacc.
Files
Quantum-Accelerators/quacc-v1.0.4.zip
Files
(34.5 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:81f5b009ac8f3d5a02de5b6dbfdf6b0d
|
34.5 MB | Preview Download |
Additional details
Related works
- Is supplement to
- Software: https://github.com/Quantum-Accelerators/quacc/tree/v1.0.4 (URL)
Software
- Repository URL
- https://github.com/Quantum-Accelerators/quacc