Dalton (AIX)

 Dalton is designed to allow convenient, automated determination of a large number of molecular properties based on an HF, DFT, MP2, coupled cluster, or MCSCF reference wave function. Version 2.0 is implemented on the IBM supercomputer JUMP in both serial and parallel version.
On JUMP give the command "news dalton" to inform you about the actual configuration and use of the Dalton package.

For further information and documentation see  http://www.kjemi.uio.no/software/dalton.


last change 24.02.2011 | Math Admin | Print