Skip to content
forked from theochem/PyCI

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

License

Notifications You must be signed in to change notification settings

marco-2023/PyCI

 
 

Repository files navigation

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.

About

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

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages

  • C++ 57.5%
  • Python 35.9%
  • Jupyter Notebook 5.8%
  • Other 0.8%