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

Parameters for Coulomb bond short-range Potential. More...

#include <bonded_coulomb_sr.hpp>

Public Member Functions

double cutoff () const
 
 BondedCoulombSR (double q1q2)
 
std::optional< Utils::Vector3dforce (Utils::Vector3d const &dx, std::function< Utils::Vector3d(double, Utils::Vector3d const &, double)> const &kernel) const
 Compute the short-range bonded Coulomb pair force.
 
std::optional< double > energy (Particle const &p1, Particle const &p2, Utils::Vector3d const &dx, std::function< double(Particle const &, Particle const &, double, Utils::Vector3d const &, double)> const &kernel) const
 Compute the short-range bonded Coulomb pair energy.
 

Public Attributes

double q1q2
 charge factor
 

Static Public Attributes

static constexpr int num = 1
 

Detailed Description

Parameters for Coulomb bond short-range Potential.

Definition at line 41 of file bonded_coulomb_sr.hpp.

Constructor & Destructor Documentation

◆ BondedCoulombSR()

BondedCoulombSR::BondedCoulombSR ( double  q1q2)
inline

Definition at line 49 of file bonded_coulomb_sr.hpp.

References q1q2.

Member Function Documentation

◆ cutoff()

double BondedCoulombSR::cutoff ( ) const
inline

Definition at line 45 of file bonded_coulomb_sr.hpp.

◆ energy()

std::optional< double > BondedCoulombSR::energy ( Particle const &  p1,
Particle const &  p2,
Utils::Vector3d const &  dx,
std::function< double(Particle const &, Particle const &, double, Utils::Vector3d const &, double)> const &  kernel 
) const
inline

Compute the short-range bonded Coulomb pair energy.

Parameters
[in]p1First particle.
[in]p2Second particle.
[in]dxDistance between the particles.
[in]kernelCoulomb energy kernel.

Definition at line 83 of file bonded_coulomb_sr.hpp.

References Utils::Vector< T, N >::norm(), and q1q2.

◆ force()

std::optional< Utils::Vector3d > BondedCoulombSR::force ( Utils::Vector3d const &  dx,
std::function< Utils::Vector3d(double, Utils::Vector3d const &, double)> const &  kernel 
) const
inline

Compute the short-range bonded Coulomb pair force.

Parameters
[in]dxDistance between the particles.
[in]kernelCoulomb force kernel.

Definition at line 66 of file bonded_coulomb_sr.hpp.

References Utils::Vector< T, N >::norm(), and q1q2.

Member Data Documentation

◆ num

constexpr int BondedCoulombSR::num = 1
staticconstexpr

Definition at line 47 of file bonded_coulomb_sr.hpp.

◆ q1q2

double BondedCoulombSR::q1q2

charge factor

Definition at line 43 of file bonded_coulomb_sr.hpp.

Referenced by BondedCoulombSR(), energy(), and force().


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