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.
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 2.0.2).
Features of this version:
This version corrects an inconsistency in SWINTERF that caused trouble with the gnu compiler. This version uses GBTOlib 1.0.3.
Name | Size | |
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UKRmol-out-2.0.2.tar.gz
md5:2aed37767f04bbbfd934c137ace82f98 |
719.0 kB | Download |
All versions | This version | |
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Views | 686 | 47 |
Downloads | 223 | 23 |
Data volume | 447.2 MB | 16.5 MB |
Unique views | 481 | 44 |
Unique downloads | 174 | 21 |