Source code for pysisyphus.calculators.AnaPotCBM

import numpy as np

from pysisyphus.calculators.AnaPotBase import AnaPotBase

# Taken from [1] 10.1021/ct9005147
#  J. Chem. Theory Comput., 2010, 6 (4), pp 1136–1144

[docs] class AnaPotCBM(AnaPotBase): def __init__(self): V_str = "x**4 + 4*x**2*y**2 - 2*x**2 + 2*y**2" xlim = (-1.25, 1.25) ylim = (-0.75, 0.75) levels = np.linspace(-1, 1.5, 80) super().__init__(V_str=V_str, xlim=xlim, ylim=ylim, levels=levels) def __str__(self): return "AnaPotCBM calculator"
if __name__ == "__main__": ap = AnaPotCBM() ap.plot() import matplotlib.pyplot as plt plt.show()