Welcome to the documentation for the Interaction EDA SEAMM plug-in#
The Interaction EDA step splits the interaction energy between the molecules of a cluster into physically meaningful terms – electrostatics, Pauli repulsion, dispersion, polarization and charge transfer – with an energy decomposition analysis (EDA). It computes the whole cluster and its pairs (and optionally triples), and separates each term into its 2-body and many-body parts. The first release uses second-generation ALMO-EDA in GPU4PySCF, on a GPU.