Published November 20, 2023
| Version 3.0.0
Software
Open
qcscine/xtb_wrapper: Release 3.0.0
Authors/Creators
- 1. Department of Chemistry and Applied Biosciences, ETH Zurich
Description
Changes:
- Enable external point charges for QM/MM
- Update address in license
Files
qcscine/xtb_wrapper-3.0.0.zip
Files
(40.7 kB)
| Name | Size | Download all |
|---|---|---|
|
md5:68a651d72af574acbe785a66382b3ebf
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40.7 kB | Preview Download |
Additional details
Related works
- Is supplement to
- Software: https://github.com/qcscine/xtb_wrapper/tree/3.0.0 (URL)