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Author:
Yury Lysogorskiy, Ralf Drautz
Summary:
free energy calculation for python
Latest version:
2.3.0
Required dependencies:
ase
|
matplotlib
|
mendeleev
|
numpy
|
pandas
|
pyarrow
|
pydantic
|
pyscal3
|
pyyaml
|
scipy
|
tqdm
Optional dependencies:
mp-api
|
pylammpsmpi
|
pytest
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