Software Open Access
UK R-matrix community
{ "publisher": "Zenodo", "DOI": "10.5281/zenodo.3260785", "language": "eng", "title": "UKRMol+: UKRMol-out", "issued": { "date-parts": [ [ 2019, 6, 28 ] ] }, "abstract": "<p>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.</p>\n\n<p>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).</p>\n\n<p>Features of this version:</p>\n\n<ul>\n\t<li>generates input for molecular RMT calculations</li>\n\t<li>includes program DIPELM to calculate photoionization cross sections</li>\n</ul>\n\n<p>This version corrects an inconsistency in SWINTERF that caused trouble with the gnu compiler. This version uses GBTOlib 1.0.3.</p>", "author": [ { "family": "UK R-matrix community" } ], "note": "Software development supported by EPSRC, CCPQ, UK-AMOR and others.", "version": "2.0.2", "type": "article", "id": "3260785" }
All versions | This version | |
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Views | 750 | 51 |
Downloads | 233 | 23 |
Data volume | 470.0 MB | 16.5 MB |
Unique views | 519 | 46 |
Unique downloads | 183 | 21 |