|
MRMD 0.4.0
Multi Resolution Molecular Dynamics
|
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) | |
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:
|
inline |
DOI: 10.1140/epjst/e2016-60151-6 eq 15.
|
inline |
DOI: 10.1140/epjst/e2016-60151-6 eq 16.