Published February 8, 2025
| Version v0.11.19
Software
Open
quacc – The Quantum Accelerator
Authors/Creators
- 1. Department of Chemical and Biological Engineering, Princeton University
Description
- Fixed a bug where R2SCAN D4 parameters would be applied even if ivdw is not 13
Notes
Please cite this work as follows if you use quacc.
Files
Quantum-Accelerators/quacc-v0.11.19.zip
Files
(34.5 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:22d6b0ab5abc1434914b6891821135bb
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34.5 MB | Preview Download |
Additional details
Related works
- Is supplement to
- Software: https://github.com/Quantum-Accelerators/quacc/tree/v0.11.19 (URL)
Software
- Repository URL
- https://github.com/Quantum-Accelerators/quacc