SimpleSpringMEHPForceEvaluator

class pylimer_tools_cpp.SimpleSpringMEHPForceEvaluator(self: pylimer_tools_cpp.SimpleSpringMEHPForceEvaluator, kappa: float = 1.0)

Bases: MEHPForceEvaluator

This is equal to a spring evaluator for Gaussian chains.

The force for a certain spring is given by: \(f = 0.5 \cdot \kappa r\), where \(r\) is the spring [between crosslinkers] length.

Recommended optimization algorithm: “LD_LBFGS”

Parameters:

kappa – The spring constant \(\kappa\)

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