Published May 12, 2023
| Version 2.0.0
Software
Open
qcscine/xtb_wrapper: Release 2.0.0
Creators
- 1. Laboratory of Physical Chemistry, ETH Zurich
Description
Changes:
- Change to xtb version 6.5.1
- Support of zero electron systems
- Various bugfixes and improvements
Files
qcscine/xtb_wrapper-2.0.0.zip
Files
(39.4 kB)
| Name | Size | Download all |
|---|---|---|
|
md5:b24695f63063750b1a6022bfd36468b6
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39.4 kB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/qcscine/xtb_wrapper/tree/2.0.0 (URL)