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schneiderfelipe/dihedral.py

Created June 13, 2018 21:09
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dihedral.py
#!/usr/bin/env python
import numpy as np
from matplotlib import pyplot as plt
def dihedral_pot(phi, v_barrier=1., n=3., phase=0., divider=1.):
return v_barrier * (1. + np.cos(n * phi - phase)) / divider
phi = np.linspace(0., 2. * np.pi, num=50)
energy = dihedral_pot(phi) + dihedral_pot(phi, n=1.)
plt.plot(phi, energy, 'b--')
plt.show()
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