Molecular Dynamics Simulation
1.0
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Implementation of the Strömer-Verlet integration method. Implements the interface IntegrationFunctor. More...
#include <VerletFunctor.h>
Public Member Functions | |
void | step (std::unique_ptr< ParticleContainer > &particle_container, const std::vector< std::shared_ptr< SimpleForceSource >> &simple_force_sources, const std::vector< std::shared_ptr< PairwiseForceSource >> &pairwise_force_sources, const std::vector< std::shared_ptr< TargettedForceSource >> &targetted_force_sources, double delta_t, double curr_simulation_time) const override |
Performs one step with the respective integration method. More... | |
Public Member Functions inherited from IntegrationFunctor | |
virtual | ~IntegrationFunctor ()=default |
Virtual default destructor for the interface. More... | |
Implementation of the Strömer-Verlet integration method. Implements the interface IntegrationFunctor.
Implements the IntegrationFunctor interface, and therefore updates all particles in the particle_container according to the Verlet integration method.
Definition at line 11 of file VerletFunctor.h.
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overridevirtual |
Performs one step with the respective integration method.
particle_container | Container of particles on which the integration step is applied |
simple_force_sources | Vector of simple force sources which are used to calculate the new forces |
pairwise_force_sources | Vector of pairwise force sources which are used to calculate the new forces |
targetted_force_sources | Vector of targetted force sources which are used to calculate the new forces |
delta_t | Time step |
curr_simulation_time | Current simulation time |
Implements IntegrationFunctor.
Definition at line 5 of file VerletFunctor.cpp.