python3

PyCI: A Python-scriptable library for arbitrary determinant CI

Recently, I contributed to the PyCI codebase, a free, open-source Python library designed to simplify and accelerate arbitrary determinant-based configuration interaction (CI) computations. PyCI is developed and maintained by the Paul W. Ayers Group at McMaster University, and its main focus is on aiding method development while ensuring high computational efficiency. PyCI enables users to […]

PyCI: A Python-scriptable library for arbitrary determinant CI Read More »