Agave: Software for calculations of electronic structure and dynamics

Open source code for molecular electronic structure calculations. Version 1 is specialized on molecules. Performs calculations of molecular orbitals at the levels of Hartree-Fock and multicomponent one particle propagators including

electron propagator, proton propagator and positron propagator up to partial fourth order. It is possible to directly monitor the evolution of molecular orbitals and other scalar fields along the evolution of the SCF process. DOWNLOAD it from the file share in this site.