Published October 11, 2023
| Version 0.14.2
Software
Open
nano-qmflows
Creators
Description
Nano-QMFlows is a generic python library for computing (numerically) electronic properties for nanomaterials like the non-adiabatic coupling vectors (NACV) using several quantum chemical (QM) packages.
Notes
If you use this software, please cite it as below.
Files
SCM-NV/nano-qmflows-0.14.2.zip
Files
(3.7 MB)
| Name | Size | Download all |
|---|---|---|
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md5:87d0f4bf6ae137c552b826281b39051a
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3.7 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/SCM-NV/nano-qmflows/tree/0.14.2 (URL)