Skip to content

Commit

Permalink
DOC: Fixed two problematic MultiMolecule references
Browse files Browse the repository at this point in the history
  • Loading branch information
Bas van Beek committed May 3, 2021
1 parent a7d8b28 commit 17f4f4b
Show file tree
Hide file tree
Showing 2 changed files with 4 additions and 4 deletions.
6 changes: 3 additions & 3 deletions FOX/armc/monte_carlo.py
Original file line number Diff line number Diff line change
Expand Up @@ -330,8 +330,8 @@ def clear_jobs(self) -> Callable[[], None]:
def run_jobs(self) -> Union[Tuple[None, None], Tuple[List[MultiMolecule], List[Any]]]:
"""Run a geometry optimization followed by a molecular dynamics (MD) job.
Returns a new :class:`.MultiMolecule` instance constructed from the MD trajectory and the
path to the MD results.
Returns a new :class:`~FOX.MultiMolecule` instance constructed from the MD trajectory
and the path to the MD results.
If no trajectory is available (*i.e.* the job crashed) return *None* instead.
* The MD job is constructed according to the provided settings in **self.job**.
Expand Down Expand Up @@ -440,7 +440,7 @@ def get_pes_descriptors(
-------
:class:`dict[str, np.ndarray[np.float64]] <dict>`, :class:`dict[str, np.ndarray[np.float64]] <dict>` and :class:`list[FOX.MultiMolecule] <list>`
A previous value from **history_dict** or a new value from an MD calculation &
a :class:`.MultiMolecule` instance constructed from the MD simulation.
a :class:`~FOX.MultiMolecule` instance constructed from the MD simulation.
Values are set to ``np.inf`` if the MD job crashed.
""" # noqa: E501
Expand Down
2 changes: 1 addition & 1 deletion docs/4_monte_carlo.rst
Original file line number Diff line number Diff line change
Expand Up @@ -229,7 +229,7 @@ An example of a custom, albit rather nonsensical, PES descriptor involving the
kwargs:
axis: 0
This .yaml input, given a :class:`.MultiMolecule` instance ``mol``, is equivalent to:
This .yaml input, given a :class:`~FOX.MultiMolecule` instance ``mol``, is equivalent to:

.. code:: python
Expand Down

0 comments on commit 17f4f4b

Please sign in to comment.