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
$300 Free Credits to Build on Google Cloud
Put your $300 in credit toward real workloads, then keep building with free monthly usage for 20+ products. No commitment and no charge until you upgrade.
Rate This Project
Login To Rate This Project
User Reviews
Be the first to post a review of EPLF!