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, FixedHarmonicAnisotropic

  • parameters: None

  • data:

    • id_i: int: Id of the particle

    • K: 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]]]
}