Usage Examples

The following examples demonstrate common Dopyqo workflows. Each page walks through a specific use case with annotated code excerpts. The full scripts are in the examples/ directory of the repository.

• Calculating the Hamiltonian
• FCI and VQE Calculations
• Using Custom Matrix Elements
• Reusing and Modifying Configurations
• Command-Line Interface (TOML Input)
• Plotting Kohn-Sham Orbitals in Real Space
• Reading Saved Output Files
• Reading Wannier90 Output
• Generating a QE Input File from Wfc