Module potentials 

Analytical potentials for reaction path benchmarking and testing.

Functions

asymmetric_1d

1D asymmetric potential: V(x) = (x^2 - 1)^2 - 0.3x Exothermic with product at x=+1 being more stable

double_well_1d

1D double well potential: V(x) = (x^2 - 1)^2 Symmetric, minima at +/- 1, barrier at x=0

muller_brown_2d

2D Müller-Brown potential

proton_transfer_2d_morse

2D Morse-based potential for proton transfer A-H…B

proton_transfer_evb

1D Marcus/EVB adiabatic potential for proton transfer s in [-1, 1], symmetric TS exactly at s=0

sn2_model_1d

1D SN2 model potential: V(x) = -2exp(-2(x+1.5)^2) - 3exp(-2(x-1.5)^2) + 1.5*exp(-8x^2)