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Author:
"Sebastian Ehlert, Marvin Friede"
License:
Apache-2.0
Summary:
Torch autodiff DFT-D3 implementation
Latest version:
0.6.0
Required dependencies:
numpy
|
tad-mctc
|
torch
Optional dependencies:
black
|
covdefaults
|
mypy
|
pre-commit
|
pylint
|
pytest
|
pytest-cov
|
pytest-random-order
|
pytest-xdist
|
tox
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