ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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RigidBond Struct Reference

Parameters for the rigid_bond/SHAKE/RATTLE ALGORITHM. More...

#include <rigid_bond.hpp>

Public Member Functions

double cutoff () const
 
 RigidBond (double d, double p_tol, double v_tol)
 

Public Attributes

double d2
 Square of the length of Constrained Bond.
 
double p_tol
 Positional Tolerance/Accuracy value for termination of RATTLE/SHAKE iterations during position corrections.
 
double v_tol
 Velocity Tolerance/Accuracy for termination of RATTLE/SHAKE iterations during velocity corrections.
 

Static Public Attributes

static constexpr int num = 1
 

Detailed Description

Parameters for the rigid_bond/SHAKE/RATTLE ALGORITHM.

Definition at line 33 of file rigid_bond.hpp.

Constructor & Destructor Documentation

◆ RigidBond()

RigidBond::RigidBond ( double  d,
double  p_tol,
double  v_tol 
)
inline

Definition at line 49 of file rigid_bond.hpp.

References p_tol, and v_tol.

Member Function Documentation

◆ cutoff()

double RigidBond::cutoff ( ) const
inline

Definition at line 45 of file rigid_bond.hpp.

References d2.

Member Data Documentation

◆ d2

double RigidBond::d2

Square of the length of Constrained Bond.

Definition at line 35 of file rigid_bond.hpp.

Referenced by calculate_positional_correction(), calculate_velocity_correction(), and cutoff().

◆ num

constexpr int RigidBond::num = 1
staticconstexpr

Definition at line 47 of file rigid_bond.hpp.

◆ p_tol

double RigidBond::p_tol

Positional Tolerance/Accuracy value for termination of RATTLE/SHAKE iterations during position corrections.

Definition at line 39 of file rigid_bond.hpp.

Referenced by calculate_positional_correction(), and RigidBond().

◆ v_tol

double RigidBond::v_tol

Velocity Tolerance/Accuracy for termination of RATTLE/SHAKE iterations during velocity corrections.

Definition at line 43 of file rigid_bond.hpp.

Referenced by calculate_velocity_correction(), and RigidBond().


The documentation for this struct was generated from the following file: