from pysisyphus.calculators.AnaPotBase import AnaPotBase
# [1] https://aip.scitation.org/doi/abs/10.1063/1.442352
# Cerjan, Miller
[docs]
class CerjanMiller(AnaPotBase):
def __init__(self, a=1, b=1, c=1):
# Eq. (3.1) in [1]
V_str = f"({a}-{b}*y**2)*x**2*exp(-x**2)+{c}/2*y**2"
xlim = (-1.3, 1.3)
ylim = (-0.7, 1.9)
super().__init__(V_str=V_str, xlim=xlim, ylim=ylim)
def __str__(self):
return "CerjanMiller calculator"
if __name__ == "__main__":
cj = CerjanMiller()
cj.plot()
import matplotlib.pyplot as plt
plt.show()