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Author:
Stephen R. Xie, Matthias Rupp
License:
Apache 2.0
Summary:
Ultra-Fast Force Fields for molecular dynamics
Latest version:
0.4.0
Required dependencies:
ase
|
matplotlib
|
ndsplines
|
numba
|
numpy
|
pandas
|
plotly
|
pyyaml
|
scikit-learn
|
scipy
|
tables
|
tqdm
Optional dependencies:
elastic
|
phonopy
|
seekpath
|
spglib
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