MultiPsi : A python-driven MCSCF program for photochemistry and spectroscopy simulations on modern HPC environments
We present MultiPsi, an open-source MCSCF program for the calculation of ground and excited states properties of strongly correlated systems. The program currently implements a general MCSCF code with excited states available using either state-averaging or linear response. It is written in a highly modular fashion using Python/C++ which makes it well suited as a development platform, enabling eas
