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lammps
lammps PublicForked from WilmerLab/lammps
Fork of the LAMMPS MD software package for fixing the heat flux commands. For corrected heat flux patch described in JCTC, please use corrected_heatflux branch.
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WPPT
WPPT PublicForked from ZhongweiZhangsite/WPPT
Wavelike and Particlelike Phonon Transport (WPPT) Solver
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CellConstructor
CellConstructor PublicForked from SSCHAcode/CellConstructor
A python utilities to handle with atomic structures and interfacing with common formats (xyz and quantum-espresso).
Python
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