GES-comp-echem

Warning

As of October 6^th 2023, the library development is discontinued.

The GES-comp-echem library is a simple interface for carrying out computational chemistry calculations with a number of computational chemistry programs.

The documentation of the library can be found here.

Credits

• Code architecture and idea: Mattia F. Palermo (2021-2023)
• Core developer: Luca Babetto (2021-2023)
• Developer: Pierpaolo Pravatto (2022-2023)