Skip to content

Latest commit

 

History

History
6 lines (5 loc) · 224 Bytes

README.md

File metadata and controls

6 lines (5 loc) · 224 Bytes

EZElec

Simple reference implementations of an electronic structure engine in Python.

Currently just RHF energies and a basis molecule model, but plan to add other post-SCF methods (MP2, CCSD) and geometry optimizations.