This developers version included the final versions of the linear response
methods for the calculation of the polarizability and the chemical NMR shifts
developed by Anna Putrino and Daniel Sebastiani. Marcella Iannuzzi contributed
a
module. Time-dependent density functional response theory was
implemented and forces for excited state energies programmed.
Salomon Billeter, Alessandro Curioni and Wanda Andreoni implemented
new linear scaling geometry optimizers that allow to locate geometrical
transition states in a clean way.
Fine grained parallelism with OpenMP was added (by Alessandro Curioni
and Jürg Hutter) and can be used together with the distributed
memory MPI version.