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post-processing package that performs analysis of structural, transport, and thermodynamic properties from ab initio molecular dynamics simulations
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AUTHORS
CREDITS
HEADER
LICENSE.txt
QBoxParser.py
READ.ME
README.md
ROADMAP
VaspParser.py
analyze_1gofr.py
analyze_gofr_semi_automatic.py
analyze_msd.py
averages.py
check_overlap.py
crystallography.py
fullaverages.py
gofrs_umd.py
msd_all_umd.py
msd_clusters_umd.py
msd_umd.py
speciation_umd.py
umd2poscar.py
umd2xyz.py
umd_process.py
vibr_spectrum_umd.py
viscosity_umd.py

README.md

UMD_package

post-processing package that performs analysis of structural, transport, and thermodynamic properties from ab initio molecular dynamics simulations

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