Fene

FENE (Finitely Extensible Nonlinear Elastic) potential to model interactions. It characterizes a bond that can be stretched to a defined maximum length, beyond which it cannot be extended.

\[U = -\frac{1}{2}K R_0^2 \ln \left[ 1 - \left( \frac{r-r_0}{R_0} \right)^2 \right]\]

type: Bond2, Fene.
parameters: None
data:
- id_i: int: Id of one particle
- id_j: int: Id of the other particle
- K : real: Spring constant \([energy]/[distance]^2\)
- r0 : real: Equilibrium distance \([distance]\)
- R0 : real: Maximum extension of the bond \([distance]\)

Example:

"entryName":{
  "type":["Bond2","Fene"],
  "parameters":{},
  "labels":["id_i", "id_j", "r0", "K", "R0"],
  "data":[[0, 1, 1.0, 2.0, 3.0],
          [3, 5, 1.5, 1.0, 2.0]]
}

FeneCommon_K_R0

FENE bonds variant with common parameters (K and R0) for all bonds.

type: Bond2, FeneCommon_K_R0.
parameters:
- K : real: Spring constant \([energy]/[distance]^2\)
- R0: real: Maximum extension of the bond \([distance]\)
data:
- id_i: int: Id of one particle
- id_j: int: Id of the other particle
- r0: real: Equilibrium distance \([distance]\)

Example:

"entryName":{
  "type":["Bond2","FeneCommon_K_R0"],
  "parameters":{"K":2.0,
                "R0:5.0},
  "labels":["id_i", "id_j", "r0"],
  "data":[[0, 1, 3.0],
          [3, 5, 2.0]]
}

FeneCommon_r0_K_R0

FENE bonds variant with common parameters (r0, K and R0) for all bonds.

type: Bond2, FeneCommon_K_R0.
parameters:
- K : real: Spring constant \([energy]/[distance]^2\)
- R0: real: Maximum extension of the bond \([distance]\)
- r0: real: Equilibrium distance \([distance]\)
data:
- id_i: int: Id of one particle.
- id_j: int: Id of the other particle.

Example:

"entryName":{
  "type":["Bond2","FeneCommon_K_R0"],
  "parameters":{"K":2.0,
                "R0:5.0,
                "r0":1.0},
  "labels":["id_i", "id_j"],
  "data":[[0, 1],
          [3, 5]]
}