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Merge pull request #221 from hmcezar/main
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Fix documentation for PLUMED interface
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hmcezar authored May 12, 2023
2 parents e3026ca + cf8cb13 commit 45a94e7
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6 changes: 6 additions & 0 deletions docs/doc_pages/api.rst
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Expand Up @@ -114,3 +114,9 @@ File input/output

.. automodule:: hymd.file_io
:members:

PLUMED
------

.. automodule:: hymd.plumed
:members:
2 changes: 1 addition & 1 deletion docs/doc_pages/interfaces.rst
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Expand Up @@ -8,7 +8,7 @@ To use the interface, the Python package of PLUMED must be installed, and the us
In the current version, only simulations using a single replica are supported.

.. warning::
PLUMED versions prior to :code:`2.8.1` did not have a working Python interface with MPI. Therefore, you **must** use PLUMED :code:`2.8.1` or greater when installing the PLUMED library in Python. Older versions for the kernel are supported if the Python interface was correctly installed with version :code:`2.8.1`.
PLUMED versions prior to :code:`2.8.1` did not have a working Python interface with MPI. Therefore, you **must** use PLUMED :code:`2.8.1` or greater when installing the PLUMED library in Python. Older versions for the kernel are supported if the Python interface was correctly installed with version :code:`2.8.1`.

Running simulations using PLUMED
================================
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