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Author:
Yury Lysogorskiy, Ralf Drautz
License:
Calphy as a complete tool, including the Command line interface, job manager (kernel.py, queuekernel.py, scheduler.py) are released under the Academic Software License (ASL), see below for description...
Summary:
free energy calculation for python
Latest version:
1.8.4
Required dependencies:
matplotlib
|
mendeleev
|
numpy
|
pandas
|
pyarrow
|
pydantic
|
pylammpsmpi
|
pyscal3
|
pyyaml
|
scipy
|
tqdm
Optional dependencies:
mp_api
|
pytest
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