diff --git a/macrodensity/plotting.py b/macrodensity/plotting.py index 2bfe124..8f20011 100644 --- a/macrodensity/plotting.py +++ b/macrodensity/plotting.py @@ -470,10 +470,14 @@ def plot_planar_average( fileconfigs like gulp, cube, and vasp. Args: - lattice_vector (float): The lattice vector value. + lattice_vector (float): Size (in A) of the repeating unit which is + used to calculate the macroscopic average. Typically, this would + be the lattice vector of the bulk material in the direction for which + the planar average is being calculated. input_file (str): Path to the input potential file. axis (str, Optional): Axis along which to calculate the - average ('x', 'y', or 'z'). Default is "z". + planar and macroscopic averages ('x', 'y', or 'z'). + Default is "z". output_file (str): Path to save the output CSV file. img_file (str): Path to save the output image file. new_resolution (int): New resolution for interpolation. @@ -538,7 +542,9 @@ def _save_df(planar, macro, output_file, interpolated_potential=None): "z": resolution_z, } macro = macroscopic_average( - planar, lattice_vector, axis_to_resolution[axis] + planar, + lattice_vector, + axis_to_resolution[axis] ) ## PLOTTING