Base version

Petroc Shelley found and corrected bug associated with nitro groups.

Base version

Merged developments from Petroc Shelley re SIMPOL and EVAPORATION

Base version

This is simply a copy of the current yearly release, including the following additions:

• New fingerprints options for parsing
• 'Fast' activity coefficient model calculations

An online and open-source facility for molecular property prediction and atmospheric aerosol calculations

Includes all files associated with the UManSysProp paper as detailed in the original GMD paper.
Now updated to enable correct passing of activity coefficients to calling functions.