Tags: tool:libefp

All Categories (1-1 of 1)

  1. The Effective Fragment Potential Method Calculation Tool

    Tools | 07 Jun 2017 | Contributor(s):: Lyudmila V. Slipchenko, Pradeep Kumar Gurunathan, Hanjing Xu

    LIBEFP facilitates extension of unique electronic structure methodologies designed for accurate simulations in the gas phase to condensed phases via QM/EFP. This tool provides a easy-to-use GUI for input generation and output visualization.