MRMD 0.4.0
Multi Resolution Molecular Dynamics
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mrmd::action::impl::CoulombDSF Class Reference

Implements the Coulomb potential with the Damped Shifted Force (DSF) method. More...

#include <action/CoulombDSF.hpp>

Public Member Functions

KOKKOS_INLINE_FUNCTION real_t computeForce (const real_t &distSqr, const real_t q1, const real_t q2) const
 DOI: 10.1140/epjst/e2016-60151-6 eq 16.
 
KOKKOS_INLINE_FUNCTION real_t computeEnergy (const real_t &distSqr, const real_t q1, const real_t q2) const
 DOI: 10.1140/epjst/e2016-60151-6 eq 15.
 
 CoulombDSF (const real_t &rc, const real_t &alpha)
 

Detailed Description

Implements the Coulomb potential with the Damped Shifted Force (DSF) method.

This class provides methods to compute the force and energy between two charged particles using the DSF method. The DSF method modifies the Coulomb potential to include a damping factor and a force shift for improved computational efficiency and accuracy in simulations.

References:

  • DOI: 10.1140/epjst/e2016-60151-6

Constructor & Destructor Documentation

◆ CoulombDSF()

mrmd::action::impl::CoulombDSF::CoulombDSF ( const real_t &  rc,
const real_t &  alpha 
)
inline

Member Function Documentation

◆ computeEnergy()

KOKKOS_INLINE_FUNCTION real_t mrmd::action::impl::CoulombDSF::computeEnergy ( const real_t &  distSqr,
const real_t  q1,
const real_t  q2 
) const
inline

DOI: 10.1140/epjst/e2016-60151-6 eq 15.

◆ computeForce()

KOKKOS_INLINE_FUNCTION real_t mrmd::action::impl::CoulombDSF::computeForce ( const real_t &  distSqr,
const real_t  q1,
const real_t  q2 
) const
inline

DOI: 10.1140/epjst/e2016-60151-6 eq 16.


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