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Improvements in documentations and new AEV features class.
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- docs.sources.docs:
    * More modules are mocked for correct rendering on the rdt website.

- atomistic.features.gaussian:
    * Changes to make the class compatible with AEV.
    * Change to f-strings.

- atomistic.features.aev:
    * New AEV addition class.
    * It just computes G2 symmetry functions.

- atomistic.modules.neuralnetwork:
    * When collecting the activations we create leaf variables.
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muammar committed Mar 15, 2020
1 parent 602f987 commit d2dec15
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Showing 4 changed files with 477 additions and 34 deletions.
8 changes: 6 additions & 2 deletions docs/source/conf.py
Original file line number Diff line number Diff line change
Expand Up @@ -49,7 +49,11 @@ def __getattr__(cls, name):
"dscribe",
"msgpack_python",
"scikit_learn",
"dask"
"dask",
"ase.neighborlist",
"plotly.express",
"ase.calculators",
"ase.io"
]

sys.modules.update((mod_name, Mock()) for mod_name in MOCK_MODULES)
Expand Down Expand Up @@ -152,7 +156,7 @@ def __getattr__(cls, name):
# -- Options for HTMLHelp output ---------------------------------------------

# Output file base name for HTML help builder.
htmlhelp_basename = "ML4Chemdoc"
htmlhelp_basename = "ML4Chem"


# -- Options for LaTeX output ------------------------------------------------
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