Commit ac736c33 authored by Ignacio Pickering's avatar Ignacio Pickering Committed by Gao, Xiang
Browse files

Small doc fixes (#270)

parent c1cd3f2a
...@@ -56,7 +56,6 @@ NeuroChem ...@@ -56,7 +56,6 @@ NeuroChem
.. autofunction:: torchani.neurochem.load_atomic_network .. autofunction:: torchani.neurochem.load_atomic_network
.. autofunction:: torchani.neurochem.load_model .. autofunction:: torchani.neurochem.load_model
.. autofunction:: torchani.neurochem.load_model_ensemble .. autofunction:: torchani.neurochem.load_model_ensemble
.. autoclass:: torchani.neurochem.Builtins
.. autoclass:: torchani.neurochem.Trainer .. autoclass:: torchani.neurochem.Trainer
:members: :members:
.. automodule:: torchani.neurochem.trainer .. automodule:: torchani.neurochem.trainer
......
...@@ -26,6 +26,8 @@ pygments_style = 'sphinx' ...@@ -26,6 +26,8 @@ pygments_style = 'sphinx'
html_theme = 'sphinx_rtd_theme' html_theme = 'sphinx_rtd_theme'
html_theme_path = [sphinx_rtd_theme.get_html_theme_path()] html_theme_path = [sphinx_rtd_theme.get_html_theme_path()]
htmlhelp_basename = 'TorchANIdoc' htmlhelp_basename = 'TorchANIdoc'
# Temporary fix for bug in HTML5 support in the RTD theme
html4_writer = True
sphinx_gallery_conf = { sphinx_gallery_conf = {
'examples_dirs': '../examples', 'examples_dirs': '../examples',
......
...@@ -7,7 +7,8 @@ these are subclasses of :class:`torch.nn.Module`. ...@@ -7,7 +7,8 @@ these are subclasses of :class:`torch.nn.Module`.
To use the models just instantiate them and either To use the models just instantiate them and either
directly calculate energies or get an ASE calculator. For example: directly calculate energies or get an ASE calculator. For example:
.. code:: python .. code-block:: python
ani1x = torchani.models.ANI1x() ani1x = torchani.models.ANI1x()
# compute energy using ANI-1x model ensemble # compute energy using ANI-1x model ensemble
_, energies = ani1x((species, coordinates)) _, energies = ani1x((species, coordinates))
......
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