Published October 9, 2025
| Version 3.0.2
Software
Open
qcscine/xtb_wrapper: Release 3.0.2
Authors/Creators
- 1. Department of Chemistry and Applied Biosciences, ETH Zurich
Description
Changes:
- Add unit test for energy and gradient calculation
Files
qcscine/xtb_wrapper-3.0.2.zip
Files
(43.5 kB)
| Name | Size | Download all |
|---|---|---|
|
md5:25da1753f9383529443520991491ef40
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43.5 kB | Preview Download |
Additional details
Related works
- Is supplement to
- Software: https://github.com/qcscine/xtb_wrapper/tree/3.0.2 (URL)
Software
- Repository URL
- https://github.com/qcscine/xtb_wrapper