NonGaussianSpringForceEvaluator

class pylimer_tools_cpp.NonGaussianSpringForceEvaluator(self: pylimer_tools_cpp.NonGaussianSpringForceEvaluator, kappa: float = 1.0, N: float = 1.0, l: float = 1.0)

Bases: MEHPForceEvaluator

This is equal to a spring evaluator for Langevin chains.

The force for a certain spring is given by: \(f = 0.5 \cdot \\frac{1}{l} \scriptL^{-1}(\frac{r}{N\cdot l})\), where \(r\) is the spring [between crosslinkers] length and \(\scriptL^{-1}\) the inverse langevin function.

Please note that the inverse langevin is only approximated.

Recommended optimization algorithm: “LD_MMA”

Parameters:

• kappa – The spring constant \(\kappa\)

• N – The number of links in a spring

• l – The the length of a spring in the chain

Initialize this ForceEvaluator

Attributes Summary

is_2d
network

Methods Summary

evaluate_stress_contribution(self, ...)

An evaluation of the stress-contribution.

Attributes Documentation

is_2d

network

Methods Documentation

evaluate_stress_contribution(self: pylimer_tools_cpp.MEHPForceEvaluator, spring_distances: float, i: int, j: int, spring_index: int) → float

An evaluation of the stress-contribution.

Parameters:

• springDistances – The three coordinate differences for one spring.

• i – The row index of the stress tensor

• j – The column index of the stress tensor