FixedHarmonicAnisotropic
The FixedHarmonicAnisotropic potential applies an anisotropic harmonic restraint between a particle and a fixed point in space, allowing for different spring constants in each dimension.
\[U = \frac{1}{2}K_x(x - x_0)^2 + \frac{1}{2}K_y(y - y_0)^2 + \frac{1}{2}K_z(z - z_0)^2\]
where:
\(K_x, K_y, K_z\) are the spring constants in each dimension
\(x, y, z\) are the coordinates of the particle
\(x_0, y_0, z_0\) are the coordinates of the fixed point
type:
Bond1,FixedHarmonicAnisotropicparameters:
Nonedata:
id_i:int: Id of the particleK:real3: Spring constants in each dimension \([energy]/[distance]^2\)r0:real3: Equilibrium distances in each dimension \([distance]\)position:real3: Fixed point coordinates \([distance]\)
Example:
"fixedHarmonicAnisotropicBonds":{
"type":["Bond1","FixedHarmonicAnisotropic"],
"parameters":{},
"labels":["id_i", "K", "r0", "position"],
"data":[[0, [100.0, 50.0, 75.0], [1.0, 1.0, 1.0], [0.0, 0.0, 0.0]],
[1, [75.0, 100.0, 50.0], [1.0, 1.0, 1.0], [1.0, 1.0, 1.0]]]
}