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Quantum chemistry: Density functional tight binding molecular dynamics

A molecular dynamics package based around self-consistent-charge density functional tight binding theory. Features: * Forces computed at the SCC-DFTB level. * Provides forces and the potential component of the total energy. * Integrates the electronic degrees of freedom (XL) (provides charges). * Solves the electronic structure of the system. * Several solvers such as SP2, Truncated SP2, Chebyshev polynomial expansion, etc.