3.7. horton.meanfield – Mean-field electronic structure code

• 3.7.1. horton.meanfield.bond_order – Generic implementation of bond orders for mean-field wavefunctions
• 3.7.2. horton.meanfield.builtin – Built-in energy terms
• 3.7.3. horton.meanfield.cext – C++ extensions
• 3.7.4. horton.meanfield.convergence – Evaluation of convergence criteria
• 3.7.5. horton.meanfield.gridgroup – Container for observables involving numerical integration
• 3.7.6. horton.meanfield.guess – Initial guesses for wavefunctions
• 3.7.7. horton.meanfield.hamiltonian – Mean-field DFT/HF Hamiltonian data structures
• 3.7.8. horton.meanfield.libxc – Interface to LDA, GGA and hybrid functionals from LibXC
• 3.7.9. horton.meanfield.observable – Base classes for energy terms and other observables of the wavefunction
• 3.7.10. horton.meanfield.occ – Occupation number models
• 3.7.11. horton.meanfield.project – Projection of 1-electron orbitals to a new basis set
• 3.7.12. horton.meanfield.response – Evaluation of response functions
• 3.7.13. horton.meanfield.rotate – Rotation of orbitals
• 3.7.14. horton.meanfield.scf – Basic Self-Consistent Field (SCF) algorithm.
• 3.7.15. horton.meanfield.scf_cdiis – Commutator DIIS SCF algorithm
• 3.7.16. horton.meanfield.scf_diis – Abstract DIIS code used by the different DIIS implementations
• 3.7.17. horton.meanfield.scf_ediis – Energy DIIS SCF algorithm
• 3.7.18. horton.meanfield.scf_ediis2 – EDIIS+DIIS SCF algorithm
• 3.7.19. horton.meanfield.scf_oda – Optimal Damping SCF algorithm
• 3.7.20. horton.meanfield.utils – Utility functions