turbomole

TURBOMOLE has been specially designed for UNIX workstations and Linux PCs and efficiently exploits the capabilities of this type of hardware. TURBOMOLE consists of a series of modules; their use is facilitated by various tools. Outstanding features of TURBOMOLE are: * semi-direct algorithms with adjustable main memory and disk space requirements, * full use of all point groups, * efficient integral evaluation, * stable and accurate grids for numerical integration, * low memory and disk space requirements, * implementation of the very efficient RI technique (DFT, SCF, MP2, CC2). (Summary from program web page.)

The official web page: http://www.turbomole.com/

Licensed to:

• NCBR/CEITEC MU users must be in the compchem or ncbr unix group