Brilliantly Advanced General Electronic-structure Library — BAGEL Manual

# Brilliantly Advanced General Electronic-structure Library

BAGEL is a parallel electronic-structure program licensed under the GNU General Public License.

The source code can be found at https://github.com/nubakery/bagel. The SMITH3 program that has generated some of the code in BAGEL is hosted at https://github.com/nubakery/smith3.

- BAGEL user manual
  - First steps with BAGEL
  - Molecule specification
  - Self-consistent field
  - Configuration interaction
  - Multiconfiguration self-consistent field
  - Perturbation theory
  - SMITH3-generated code
  - Nuclear gradients and related functionalities
  - Active space decomposition method
  - Miscellaneous features
  - Supplementary information
  - Author contributions
  - Funding and citation