QuAcK manual¶

QuAcK is a Fortran program for developing and testing electronic-structure methods. PyDuck prepares molecular integrals with PySCF and launches the Fortran driver.

• Install and run QuAcK with RHF and single-shot GW examples for H₂ and water.
• Browse the method catalogue for restricted, unrestricted, generalized and Bogoliubov drivers.
• Look up input flags and defaults or find a Fortran routine.
• Read the ground-state and Green's-function and response guides.
• See validation and contribution instructions.

See the project page for contributors, citation, and funding.