Dopyqo
/

Contents:

  • Installation
  • Quickstart
  • Overview
  • Usage Examples
    • 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
  • Tutorials
    • Bader Charge Analysis
  • API Reference
    • Configuration
    • Entry Point
    • Wavefunction (Wfc)
    • Hamiltonian
    • Electron Repulsion Integrals
    • Matrix Elements
    • Pseudopotentials
    • VQE Helpers
    • Utilities
  • Citation
  1. Dopyqo /
  2. Overview: module code

All modules for which code is available

  • dopyqo.calc_matrix_elements
  • dopyqo.calc_pseudo_pot
  • dopyqo.eri_pair_densities
  • dopyqo.hamiltonian
  • dopyqo.helpers.config
  • dopyqo.helpers.matrix_elements
  • dopyqo.helpers.vqe_helpers
  • dopyqo.pseudopot
  • dopyqo.scripts.main
  • dopyqo.transform_matrices
  • dopyqo.wannier90
  • dopyqo.wfc

2026, Erik Schultheis, Alexander Rehn, Erik Hansen, Jasper Nickelsen, Gabriel Breuil

Made with Sphinx and Shibuya theme.