https://it.chem.tu-berlin.de/wiki/ 2026-04-28T20:13:32+00:00 https://it.chem.tu-berlin.de/wiki/ https://it.chem.tu-berlin.de/wiki/lib/tpl/arctic/images/favicon.ico text/html 2019-01-29T15:39:23+00:00 Anonymous (anonymous@undisclosed.example.com) https://it.chem.tu-berlin.de/wiki/doku.php?id=hpc:numericserveruser:software:quantenchemie_group:cfour:copyright&rev=1548772763&do=diff Citing & Credits The following citations are requested by the licensing agreement to be included in any publication including results based on calculations with CFOUR: * The users must be informed that any published work arising from use of ”CFOUR” must include the following citation: CFOUR, a quantum chemical program package written by J.F. Stanton, J. Gauss, L. Cheng, M.E. Harding, D.A. Matthews, P.G. Szalay with contributions from A.A. Auer, R.J. Bartlett, U. Benedikt, C. Berger, D.E. Ber… text/html 2020-02-17T20:53:22+00:00 Anonymous (anonymous@undisclosed.example.com) https://it.chem.tu-berlin.de/wiki/doku.php?id=hpc:numericserveruser:software:quantenchemie_group:cfour:executing&rev=1581969202&do=diff Running CFOUR * module use /net/projects/kaupp/modules && module load cfour/1.2 * Basis file named GENBAS and input file named ZMAT must be present in current working directory: * ln -sr /projects/kaupp/prog/cfour/1.2/basis/GENBAS * In SGE batch jobs invoke via: text/html 2019-01-29T15:08:01+00:00 Anonymous (anonymous@undisclosed.example.com) https://it.chem.tu-berlin.de/wiki/doku.php?id=hpc:numericserveruser:software:quantenchemie_group:cfour:start&rev=1548770881&do=diff CFOUR cfour index