Software Open Access
UK R-matrix community
{ "inLanguage": { "alternateName": "eng", "@type": "Language", "name": "English" }, "description": "<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>", "license": "https://opensource.org/licenses/LGPL-3.0", "creator": [ { "@type": "Person", "name": "UK R-matrix community" } ], "url": "https://zenodo.org/record/3260785", "datePublished": "2019-06-28", "version": "2.0.2", "keywords": [ "electron scattering, photoionization" ], "@context": "https://schema.org/", "identifier": "https://doi.org/10.5281/zenodo.3260785", "@id": "https://doi.org/10.5281/zenodo.3260785", "@type": "SoftwareSourceCode", "name": "UKRMol+: UKRMol-out" }
All versions | This version | |
---|---|---|
Views | 750 | 51 |
Downloads | 233 | 23 |
Data volume | 470.0 MB | 16.5 MB |
Unique views | 519 | 46 |
Unique downloads | 183 | 21 |