Package: wnpp Severity: wishlist Owner: Debichem Team <debichem-de...@lists.alioth.debian.org>
* Package name : xtalopt Version : r8.0 Upstream Author : David Lonie * URL : http://xtalopt.openmolecules.net * License : GPLv2, LGPLv2 and BSD Programming Lang: C, C++ Description : Evolutionary Crystal Structure Prediction XtalOpt is an evolutionary algorithm designed to predict crystal structures. It is implemented as an extension to the Avogadro molecular editor. . XtalOpt runs on a workstation and supports using Quantum ESPRESSO, GULP, VASP and CASTEP for geometry optimizations. The calculations can be performed remotely on a cluster running PBS or SGE, or on the workstation if a computing cluster is not available. Cheers, Michael -- To UNSUBSCRIBE, email to debian-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/20110914221901.ga2...@nighthawk.chemicalconnection.dyndns.org
