Dalton is an ab initio quantum chemistry computer program. It is capable of calculating various molecular properties using the Hartree-Fock, MP2, MCSCF and coupled cluster theories. Dalton also supports density functional theory calculations.
Online information from vendor¶
License and access policy¶
Dalton is licensed under the GPL 2. That basically means that everyone may freely use the program.
You load the application by typing:
module load Dalton/2016-130ffaa0-intel-2017a
For more information on available versions of Dalton, type:
module avail Dalton