A simplified implementation of Effective Fragment Potential (EFP) is provided, considering only the electrostatic and induction terms. Significant mathematical assistance was obtained from https://github.com/ilyak/libefp.
A simplified implementation of Effective Fragment Potential (EFP) is provided, considering only the electrostatic and induction terms. Significant mathematical assistance was obtained from https://github.com/ilyak/libefp.