/PyCI

A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.

Primary LanguageC++GNU General Public License v3.0GPL-3.0

Python 3

PyCI

PyCI is a flexible quantum chemistry Configuration Interaction library for Python 3.

PyCI is distributed under the GNU General Public License version 3 (GPLv3). See http://www.gnu.org/licenses/ for more information.

See http://pyci.qcdevs.org/ for up-to-date installation and usage instructions, as well as for tutorials and the API reference.

Citing PyCI

See the CONTRIBUTORS file.