ExaPsi

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5. AdvQuantumChem AdvQuantumChemPublic

   Companion code for Advanced Quantum Chemistry (2302638) - Electron Integrals and Hartree-Fock with Rys Quadrature

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6. GRO-DFTB GRO-DFTBPublic

   An open-source QM/MM interface coupling DFTB+ with GROMACS for energy-conserving ground-state molecular dynamics

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