https://it.chem.tu-berlin.de/wiki/ 2026-04-28T21:43:16+00:00 https://it.chem.tu-berlin.de/wiki/ https://it.chem.tu-berlin.de/wiki/lib/tpl/arctic/images/favicon.ico text/html 2019-12-07T16:56:14+00:00 Anonymous (anonymous@undisclosed.example.com) https://it.chem.tu-berlin.de/wiki/doku.php?id=hpc:hpc_tubit:module_package:quantenchemie_group:cfour&rev=1575734174&do=diff CFOUR Current installation * Version: 1 * Revision: 2 * Parallelization: process level for intra- and internode jobs Credits and Citation CFOUR, Coupled-Cluster techniques for Computational Chemistry, a quantum-chemical program package 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. Bernholdt, Y.J. Bomble, O. Christiansen, F. Engel, R. Faber, M. Heckert, O. Heun, M. Hilgenber… text/html 2019-07-26T19:26:43+00:00 Anonymous (anonymous@undisclosed.example.com) https://it.chem.tu-berlin.de/wiki/doku.php?id=hpc:hpc_tubit:module_package:quantenchemie_group:intel_parallel-studio-xe_composer&rev=1564162003&do=diff Parallel Studio XE Composer * Documentation will follow soon... date of revision: 07-26-2019 © kraus text/html 2019-07-25T15:15:39+00:00 Anonymous (anonymous@undisclosed.example.com) https://it.chem.tu-berlin.de/wiki/doku.php?id=hpc:hpc_tubit:module_package:quantenchemie_group:respect&rev=1564060539&do=diff ReSpect Current installation * Versions: 5.1.0 beta * Parallelization: OpenMP threads Credits and Citation ReSpect 5.1.0 (2019), relativistic spectroscopy DFT program. Authors M. Repisky, S. Komorovsky, V. G. Malkin, O. L. Malkina, M. Kaupp, K. Ruud, with contributions from R. Bast, R. Di Remigio, U. Ekstrom, M. Kadek, S. Knecht, L. Konecny, E. Malkin, I. Malkin Ondik. (see http://www.respectprogram.org) text/html 2019-07-24T15:20:45+00:00 Anonymous (anonymous@undisclosed.example.com) https://it.chem.tu-berlin.de/wiki/doku.php?id=hpc:hpc_tubit:module_package:quantenchemie_group:start&rev=1563974445&do=diff Software for Quantenchemie Group quantenchemie_group index