C++ code to compute electron trajectories in molecular orbitals using spin-dependent quantum hydrodynamics

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C++ code to compute electron trajectories in molecular orbitals using spin-dependent quantum hydrodynamics

This is the initial release of C++ code that will compute electron trajectories in molecular orbitals using spin-dependent quantum hydrodynamics (SD-QHD). The code assumes that the molecular orbitals are linear combinations of atom-centered, Cartesian Gaussian-type orbitals (GTOs). It requires that the wavefunction information is written in an AIMPAC WFX format.