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  1. Hefei-NAMD-DEV Hefei-NAMD-DEV Public

    Hefei-NAMD is an ab initio non-adiabatic molecular dynamics program based on time-dependent density-functional theory and surface hopping methods to investigate ultrafast dynamics of excited carrie…

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  2. CA-NAC CA-NAC Public

    Concentric Approximation - Non-adiabatic Coupling

    Python 26 16

  3. Hefei-NAMD Hefei-NAMD Public

    Forked from QijingZheng/Hefei-NAMD

    ab-initio nonadiabatic molecular dynamics program

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  4. VaspBandUnfolding VaspBandUnfolding Public

    Forked from QijingZheng/VaspBandUnfolding

    A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.

    Python 1