Software Open Access
UK R-matrix community
Outer region programs for the reengineered UK computational implementation of the R-matrix method for the treatment of electron and positron scattering from molecules (BTO/GTO continuum). Also calculates photoionization cross sections.
This version corrects a bug in the program borncros.
For a complete list of the authors who contributed to this software see https://www.ukamor.com/ and a file in the release tarball (after release 3.0).
Features of release 3.0:
This version uses GBTOlib 2.0.
Name | Size | |
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ukrmol-out-3.0.1.tar.gz
md5:9bf3a811868f123fc46c0ccbff7211ec |
2.4 MB | Download |
All versions | This version | |
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Views | 756 | 199 |
Downloads | 234 | 67 |
Data volume | 472.4 MB | 164.1 MB |
Unique views | 523 | 165 |
Unique downloads | 184 | 52 |