Published March 11, 2024
| Version v1.2.0
Software
Open
mturiansky/nonrad: v1.2.0
- 1. University of California, Santa Barbara
Description
- implements the Sommerfeld parameter in 1 and 2 dimensions [see J. Phys.: Condens. Matter 36, 195902 (2024)]
- faster overlap evaluation through Hermite-Gauss quadrature
- some warnings when the number of initial/final states is not high enough to cover the crossing point between the potential energy surfaces
- switch to pdm for package management
Files
mturiansky/nonrad-v1.2.0.zip
Files
(3.0 MB)
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md5:c4d6fb49cae2eb04baf7e6ab692c1ffa
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Additional details
Related works
- Is supplement to
- Software: https://github.com/mturiansky/nonrad/tree/v1.2.0 (URL)