A Python-based coupled cluster implementation. Current capabilities include:

• Spin-adapted RHF-CCSD and RHF-CCSD(T) energies
• Triples-drivers for (T), CC3, and other approximate triples
• RHF-CCSD densities
• Real-time CCSD

Future plans:

• CC2 and CC3 methods
• Linear and quadratic response functions
• EOM-CC
• Single- and mixed-precision arithmetic
• Analytic gradients

This repository is currently under development. To do a developmental install, download this repository and type pip install -e . in the repository directory.

This package requires the following:

• psi4
• numpy
• opt_einsum
• scipy

Copyright (c) 2021, T. Daniel Crawford

Project structure based on the MolSSI's Computational Molecular Science Python Cookiecutter Version 1.5.