Added sphinxcontrib-pseudocode to docs/requirements.txt

wehs7661 · Apr 24, 2024 · 8a535a4 · 8a535a4
1 parent 9a9e4ff
commit 8a535a4
Show file tree

Hide file tree

Showing 2 changed files with 6 additions and 4 deletions.
diff --git a/docs/requirements.txt b/docs/requirements.txt
@@ -11,4 +11,4 @@ seaborn
 matplotlib
 pyemma
 pymbar==4.0.1
-
+sphinxcontrib-pseudocode
diff --git a/docs/theory.rst b/docs/theory.rst
@@ -207,12 +207,14 @@ As detailed in Algorithm 1 below.
     \end{algorithm}
 
 
-
 3. Correction schemes
 =====================
+For weight-updating REXEE simulations, we experimented a few correction schemes that aim to improve the convergence of the alchemical weights.
+These correction schemes include weight combination schemes (enabled by setting :code:`w_combine: True` in the input YAML file) and histogram correction schemes
+(enabled by setting :code:`hist_corr: True` in the input YAML file). While there has not been evidence showing that these correction schemes could improve the
+weight convergence in REXEE simulations (as discussed in our paper), we still provide these options for users to experiment with.
+In the following sections, we elaborate on the details of these correction schemes.
 
-3.1. Weight correction
-----------------------