Quantum Chemistry =================== Submodules ---------- chemistry tools module ---------------------------------------- .. automodule:: tequila_code.quantumchemistry.chemistry_tools :members: :undoc-members: :show-inheritance: encodings module --------------------------------- .. automodule:: tequila_code.quantumchemistry.encodings :members: :undoc-members: :show-inheritance: madness interface module ------------------------------------------ .. automodule:: tequila_code.quantumchemistry.madness_interface :members: :undoc-members: :show-inheritance: orbital optimizer module ------------------------------------------ .. automodule:: tequila_code.quantumchemistry.orbital_optimizer :members: :undoc-members: :show-inheritance: psi4 interface module --------------------------------------- .. automodule:: tequila_code.quantumchemistry.psi4_interface :members: :undoc-members: :show-inheritance: pyscf interface module ---------------------------------------- .. automodule:: tequila_code.quantumchemistry.pyscf_interface :members: :undoc-members: :show-inheritance: qc base module -------------------------------- .. automodule:: tequila_code.quantumchemistry.qc_base :members: :undoc-members: :show-inheritance: Module contents --------------- .. automodule:: tequila_code.quantumchemistry :members: :undoc-members: :show-inheritance: