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Old 11-01-2010, 04:00 PM
Yann Pouillon
 
Default Bug#602111: ITP: octopus -- Real-space TDDFT-based electronic-structure code

Package: wnpp
Severity: wishlist
Owner: Yann Pouillon <yann.pouillon@gmail.com>

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* Package name : octopus
Version : 3.2.0
Upstream Author : Miguel Marques <marques@tddft.org>
* URL : http://www.tddft.org/programs/octopus/wiki/index.php/Main_Page
* License : GPL
Programming Lang: C, Fortran 90
Description : Real-space TDDFT-based electronic-structure code

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.

This package will be part of the Debian Science nanoscale-physics
metapackage.


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