from pysisyphus.calculators.AnaPotBase import AnaPotBase
# See J. Chem. Phys. 122 174106 (2005)
# https://doi.org/10.1063/1.1885467
# Eq. (11)
[docs]
class FourWellAnaPot(AnaPotBase):
def __init__(self):
V_str = "x**4 + y**4 - 2*x**2 - 4*y**2 + x*y + 0.3*x + 0.1*y"
xlim = (-1.75, 1.75)
ylim = (-1.75, 1.75)
minima = (
(1.12410175, -1.48527428, 0.0),
(-0.82190767, -1.36672971, 0.0),
(-1.17405609, 1.47708706, 0.0),
)
super().__init__(V_str=V_str, xlim=xlim, ylim=ylim, minima=minima)
def __str__(self):
return "FourWellAnaPot calculator"
if __name__ == "__main__":
fw = FourWellAnaPot()
fw.plot(show=True)