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# This is an example about how to read forces in an OUTCAR file | |
# | |
# The forces acting on each ions are provided in an OUTCAR file. | |
# you can read the table using the Outcar.read_table_pattern() method | |
# here are the working regex in order to read the forces. | |
# At the end you get a multiple list with forces as float. | |
# With last_one_only=False, the first index of the list is the ionic step, | |
# the second is the atom index and the last is 0, 1 or 2 for f_x, f_y and f_z | |
# respectively. | |
# |
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import matplotlib.pyplot as plt | |
def plot_cmap(cmap, ncolor): | |
""" | |
A convenient function to plot colors of a matplotlib cmap | |
Args: | |
ncolor (int): number of color to show | |
cmap: a cmap object or a matplotlib color name | |
""" |
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#!/usr/bin/env python3 | |
# coding: utf-8 | |
import matplotlib | |
import matplotlib.pyplot as plt | |
import pandas as pd | |
import squarify | |
import platform | |
# print versions |