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From OctopusWiki
Octopus is a scientific program aimed at the ab initio virtual experimentation on a hopefully ever-increasing range of system types. Electrons are described quantum-mechanically within density-functional theory (DFT), in its time-dependent form (TDDFT) when doing simulations in time. Nuclei are described classically as point particles. Electron-nucleus interaction is described within the pseudopotential approximation.
Octopus is free software, released under the GPL license, so you are free to use it and modify it.
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[edit] Useful Info[edit] Some examples
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[edit] Latest news2010-07-09 Released libxc/libxc-1.0 2010-03-30 Released CMSP-2.0.5 2009-11-24 Version 3.2.0 (stable) released. 2009-11-04 Version 3.1.1 (stable) released. 2009-04-14 Version 3.1.0 (stable) released. 2009-03-31 Released libxc-1.0-alpha 2008-05-08 Version 3.0.1 (stable) released. 2008-02-19 Version 3.0.0 (stable) released. 2007-11-23 Released new version of the xyz-tools. 2007-06-05 Version 2.1.0 (stable) released. 2007-03-27 Version 2.1.0rc2 (unstable) released. 2007-02-03 Released CMSP-2.0.4 2007-01-24 Released CMSP-2.0.3 2007-01-19 Wiki is now the main page of octopus 2006-08-23 Version 2.0rc1 (unstable) released. |
