| ID | 1844 | ||||||||||||||||||||||||
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| Package Name | dl_poly | ||||||||||||||||||||||||
| Version | 1.10 | ||||||||||||||||||||||||
| Release | 23.fc42 | ||||||||||||||||||||||||
| Epoch | Draft | False | |||||||||||||||||||||||
| Summary | General purpose classical molecular dynamics (MD) simulation | ||||||||||||||||||||||||
| Description | DL_POLY Classic is a general purpose molecular dynamics simulation package developed at Daresbury Laboratory by W. Smith, T.R. Forester and I.T. Todorov. It is based on the package DL_POLY_2, which was originally developed by the Computational Chemistry Group, (CCG) at Daresbury Laboratory under the auspices of the Engineering and Physical Sciences Research Council (EPSRC) for (CCP5), the EPSRC's Collaborative Computational Project for the Computer Simulation of Condensed Phases. DL_POLY Classic achieves parallelisation using the Replicated Data strategy which is suitable for homogeneous, distributed-memory, parallel computers. The code is useful for simulations of up to 30,000 atoms with good parallel performance on up to 100 processors, though in some circumstances it can exceed or fail to reach these limits. Reference: I.T. Todorov, W. Smith, K. Trachenko & M.T. Dove, Journal of Materials Chemistry, (2006) 16, 1911-1918 | ||||||||||||||||||||||||
| Built by | davidlt | ||||||||||||||||||||||||
| State | complete | ||||||||||||||||||||||||
| Volume | DEFAULT | ||||||||||||||||||||||||
| Started | Mon, 09 Jun 2025 16:11:49 UTC | ||||||||||||||||||||||||
| Completed | Mon, 09 Jun 2025 16:11:49 UTC | ||||||||||||||||||||||||
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| Changelog | * Thu Jan 16 2025 Fedora Release Engineering <releng@fedoraproject.org> - Rebuilt for https://fedoraproject.org/wiki/Fedora_42_Mass_Rebuild * Wed Jul 17 2024 Fedora Release Engineering <releng@fedoraproject.org> - 1.10-22 - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild * Fri Feb 09 2024 Dave Love <loveshack@fedoraproject.org> - 1.10-21 - ExcludeArch i686 for FTBFS (#2261065) - Update patch syntax * Wed Jan 24 2024 Fedora Release Engineering <releng@fedoraproject.org> - 1.10-21 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Fri Jan 19 2024 Fedora Release Engineering <releng@fedoraproject.org> - 1.10-20 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Wed Jul 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 1.10-19 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild * Thu Jan 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 1.10-18 - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild |