===================================== Welcome to EFP page! ===================================== .. image:: ../images/libefp_logo.png :width: 600px :align: center :alt: EFP Overview EFP, or the Effective Fragment Potential, is a polarizable quantum-mechanics-based model potential for predicting non-covalent interaction energies between molecules. EFP describes the non-covalent interaction energy as a sum of Colomb, polarization, dispersion, exchange-repulsion and optional charge-transfer terms. .. toctree:: :maxdepth: 2 :caption: Introduction learn_more gallery cite_efp .. toctree:: :maxdepth: 2 :caption: EFP in a nutshell parameters efp_parameter_databases efp_calcs bioefp flexible_efp applied efp qmefp .. toctree:: :maxdepth: 2 :caption: Software, tools, and tips efpmd libefp gamess qchem psi4 tutorials .. toctree:: :maxdepth: 2 :caption: EFP bibliography papers Indices and tables ================== * :ref:`genindex` * :ref:`modindex` * :ref:`search`