Authors

This software was originally created by Andreas Singraber during his PhD programme at the University of Vienna. Code development started in 2015 and the first release to the public was in 2018.

Contributions are much appreciated and will be recorded here:

• CabanaMD interface (libnnpif/CabanaMD): Saaketh Desai and Sam Reeve

• Polynomial symmetry functions (libnnp/Sym(Fnc/Grp)(Base)Comp…): Martin P. Bircher and Andreas Singraber

• 4G-HDNNP training/prediction implementation in n2p2: Philipp Misof