molsim is now a self-contained GNU Octave package. The code is completely reorganized and the UI
is based on classes. This major change is motivated in order to overcome different problematic
issues with file-scope etc in version 1.X.Y, where molsim simply was a wrapper for the C seplib library.
This code reorganization allows the user to change and extent the features in a more straight-forward
manner and it will ease the future planed implementation of CUDA support.
IMPORTANT: Version 2.0.0 and higher is not compatible with versions 1.X.Y.