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WMD-group · Sep 7, 2023 · 4fbb42b · 4fbb42b
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diff --git a/docs/tutorials/MD_workbook.ipynb b/docs/tutorials/MD_workbook.ipynb
@@ -34,6 +34,8 @@
    "metadata": {},
    "source": [
     "## Plotting the planar and macroscopic average \n",
+    "The approach to calculating the planar and macroscopic average is taken from [Peressi's paper](https://doi.org/10.1088/0022-3727/31/11/002). \n",
+    "\n",
     "We can calculate the planar and macroscopic potential average of a material using the function `md.plotting.plot_planar_average`. This function can post-process different output files, including `CHGCAR`, `LOCPOT`, `.cube` and `gulp.out`:"
    ]
   },

diff --git a/macrodensity/build.sh b/macrodensity/build.sh
diff --git a/macrodensity/meta.yaml b/macrodensity/meta.yaml
@@ -3,11 +3,13 @@ package:
   version: 1.0.0
 
 source:
-  url: 
+  url: https://files.pythonhosted.org/packages/f8/5c/f60e9d8a1e77005f664b76ff8aeaee5bc05d0a91798afd7f53fc998dbc47/Click-7.0.tar.gz
+  sha256: 5b94b49521f6456670fdb30cd82a4eca9412788a93fa6dd6df72c94d5a8ff2d7
+
 
 build:
   number: 0
-  script: build.sh  # Path to the build script
+  script: 
 
 requirements:
   build:

diff --git a/macrodensity/plotting.py b/macrodensity/plotting.py
@@ -692,7 +692,7 @@ def plot_field_at_point(
     # grad_mag=np.linalg.norm( [grad_y,grad_y,grad_z], axis=3)
 
     ## This function in Macrodensity averages Efield ACROSS Z for Slab calculations
-    # xx,yy,grd =  pot.create_plotting_mesh(NGX,NGY,NGZ,plane_coeff,grad_mag) #AVG over full volume
+    xx,yy,grd =  md.create_plotting_mesh(NGX,NGY,NGZ,plane_coeff,grad_mag) #AVG over full volume
 
     # Here we construct the same xx,yy,grd variables with a SLICE, forming a plane in XY at particular ZSLICE
     xx, yy = np.mgrid[0:NGX, 0:NGY]
@@ -834,12 +834,16 @@ def plot_active_plane(
 
     Note:
         - The function reads the electrostatic potential from the specified VASP LOCPOT
-        file.
+            file.
+
         - The active plane is determined by sampling the potential in a cube around the
-        cube_origin point.
+            cube_origin point.
+
         - The cutoff_varience parameter sets the threshold for distinguishing active and
-        non-active cubes based on their variance in potential.
+            non-active cubes based on their variance in potential.
+
         - The function creates a contour plot of the electric field on the active plane.
+
         - It also plots the planar average of the electric field and potential throughout the material.
     """
     # ------------------------------------------------------------------