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GES-comp-echem

Warning

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

Tests

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)