PR Advanced Exercises for Theoretical Chemistry and Computational Chemistry

Welcome to the instruction page of the 724651 PR Advanced Exercises for Theoretical Chemistry and Computational Chemistry!

The sidebar contains links to the respective exercise. For the exercise a scientific introduction is provided along with a detailed HowTo and a checklist which results should be included on the poster.

Code

import matplotlib.pyplot as plt
import numpy as np
from matplotlib.ticker import (MultipleLocator, AutoMinorLocator)

# 100 linearly spaced numbers
x = np.linspace(-4.9,4.9,100)

# the function, which is y = x^2 here
y = x**2+10

# setting the axes at the centre
fig = plt.figure()
ax = fig.add_subplot(1, 1, 1)
ax.set_ylim([-5, 35])
ax.xaxis.set_minor_locator(MultipleLocator(0.5))
ax.yaxis.set_minor_locator(MultipleLocator(2.5))

# plot the function
plt.plot(x,y, 'r', linewidth = 2.5)
plt.axvline(x = 0, ymin = 0.1, ymax = 0.9, color = 'r', linewidth = 2.5)
#plt.axis('off')
plt.grid(True)

# show the plot
plt.show()