New script geometry_reorder for reordering geometry.
New optimization criteria added, gradient norm replaced by gradient RMS in the default set.
New interface AMBER_NAB
Install & update scripts install_* merged into script installcuby.
Module cuby_intopt merged into cuby_optimize. Optimization is now single job type.
Script geometry_scan added
Kinetic monte carlo simulation program kmc added.
Module cuby_scan added
New module cuby_dataset for automated calculation of predefined datasets.
New module cuby_intopt for geometry optimization in redundant or delocalized internal coordinates. Implementation of coordinate transformation also allows to use more efficient hessian estimate for optimizations in cartesian coordinates (used with RFO driver).
The geometry script can now write its output into file.
New tool measure