The Electron Pair Localization Function (EPLF) helps to understand chemical bonding in molecular systems. This code uses a modified formulation which allows the exact calculation of the EPLF for usual wave functions (HF,KS,CAS,...)
License
GNU General Public License version 2.0 (GPLv2)Follow EPLF
Other Useful Business Software
Earn up to 16% annual interest with Nexo.
Generate interest, borrow against your crypto, and trade a range of cryptocurrencies — all in one platform.
Geographic restrictions, eligibility, and terms apply.
Rate This Project
Login To Rate This Project
User Reviews
Be the first to post a review of EPLF!