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improve description of lattice_vector in plot_planar_average
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ireaml committed Dec 23, 2023
1 parent 4551ead commit c20f067
Showing 1 changed file with 9 additions and 3 deletions.
12 changes: 9 additions & 3 deletions macrodensity/plotting.py
Original file line number Diff line number Diff line change
Expand Up @@ -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.
Expand Down Expand Up @@ -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
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