- ... list.4.1
- We no
longer support an American mirror site for the DALTON program.
- ... gradients7.1
- Note
that MP2, CCSD, and CCSD(T) analytical gradients are available through the CC
module
- ...
nucleus.10.1
- DALTON 2.0 now only calculates the symmetry-distinct
contributions to the spin-dipole operator, that is--six instead of
nine elements are calculated for this operator.
- ...
retained23.1
- The two exceptions to the backward are that when
using the ATOMBASIS keyword, the basis set name has to be
preceded by ``Basis=''. When specifying the Cartesian
coordinates of the atoms, it is no longer required that the
coordinates start at position 5. However, blanks are no longer
allowed in the names of atoms, and the atom names are still
restricted to 4 characters.