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DFT XC Model #3363
DFT XC Model #3363
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Getting close! Mostly documentation issues below
@@ -248,3 +248,6 @@ Density Functional Theory Layers | |||
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.. autoclass:: deepchem.models.dft.scf.XCNNSCF | |||
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.. autoclass:: deepchem.models.dft.dftxc.DFTXC |
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Can you add the DFT layers to the new table
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Documenting offline discussion, to be done in a follow up PR, with DFT layers to be added to https://github.com/deepchem/deepchem/blob/master/docs/source/api_reference/torch_layers.csv
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LGTM
There are strange errors on the CI from pip failing to install in the conda environment.
Description
Fix #(issue)
Type of change
Please check the option that is related to your PR.
Checklist
yapf -i <modified file>
and check no errors (yapf version must be 0.32.0)mypy -p deepchem
and check no errorsflake8 <modified file> --count
and check no errorspython -m doctest <modified file>
and check no errors