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transport-coefficients-MSD
transport-coefficients-MSD PublicCode to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.
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transport-coefficients
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pymatgen
pymatgen PublicForked from materialsproject/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…
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kdfong.github.io
kdfong.github.io PublicForked from academicpages/academicpages.github.io
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mdgo
mdgo PublicForked from HouGroup/mdgo
A codebase for classical molecular dynamics (MD) simulation setup and results analysis.
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