Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

[doc] tutorial: use alchemlyb.concat #399

Merged
merged 2 commits into from
Sep 19, 2024
+2 −2
Merged

[doc] tutorial: use alchemlyb.concat #399

Changes from all commits
Commits
Show all changes
2 commits
Select commit Hold shift + click to select a range
a2f70f0
[doc] tutorial: use alchemlyb.concat
orbeckst Sep 17, 2024
9df0c6f
Merge branch 'master' into tutorial-use-alchemlyb-concat
xiki-tempula Sep 19, 2024
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
4 changes: 2 additions & 2 deletions docs/tutorial.rst
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -76,7 +76,7 @@ method. More estimators are available in the section on
>>> import pandas as pd

>>> mbar = MBAR()
>>> mbar.fit(pd.concat(decorrelated_u_nk_list))
>>> mbar.fit(alchemlyb.concat(decorrelated_u_nk_list))
>>> mbar.delta_f_
0.00 0.25 0.50 0.75 1.00
0.00 0.000000 1.613595 2.553407 2.983336 3.039517
Expand Down Expand Up @@ -152,4 +152,4 @@ also perform a set of analysis that allows the user to examine the quality of
the estimation.


.. _alchemtest: https://github.com/alchemistry/alchemtest
.. _alchemtest: https://github.com/alchemistry/alchemtest
Loading