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This site contains the project documentation for the libeq library for the solution of thermodynamic equilibrium. It is the core routine of PyES, a frontend for the calculation of species distribution and simulation of titration curves.

  1. Tutorials
  2. Reference
  3. Explanation

Acknowledgements

This library is based on the work of many research group on the topic, in particular the works of Prof. Sammartano's research group from the University of Messina and the Prof. Carrayrou from the University of Strasbourg.

The code has been heavly inspired by the works of Prof. Blasco from the University of Valencia.