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Hefei-NAMD-DEV
Hefei-NAMD-DEV PublicHefei-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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Hefei-NAMD
Hefei-NAMD PublicForked from QijingZheng/Hefei-NAMD
ab-initio nonadiabatic molecular dynamics program
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VaspBandUnfolding
VaspBandUnfolding PublicForked from QijingZheng/VaspBandUnfolding
A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
Python 1
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