Difference between revisions of "TURBOMOLE"
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Latest revision as of 17:42, 15 August 2022
Description
TURBOMOLE is a quantum chemical program package, initially developed in the group of Prof. Dr. Reinhart Ahlrichs at the University of Karlsruhe and at the Forschungszentrum Karlsruhe. Until 2007 the main development of the program was conducted by students and postdoctoral researchers in the group of Ahlrichs, who usually changed their field of work after leaving the group. Therefore, the code was well localized at and, consequently, owned by the University of Karlsruhe. However, since 2007 the situation has changed. Several people, who started their work with TURBOMOLE in Karlsruhe, still make significant contributions and feel responsible for the program, but do no longer reside in Karlsruhe. It was thus necessary to arrange the development of TURBOMOLE in a different manner, namely as a company.
TURBOMOLE is a licensed software. To use it, please provide your license. We will set the file permissions accordingly.
Environment Modules
Run module spider TURBOMOLE to find out what environment modules are available for this application.
System Variables
- HPC_TURBOMOLE_DIR - installation directory