Molecular Dynamics Simulation
1.0
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Interface for numerical integration methods. More...
#include <IntegrationFunctor.h>
Public Member Functions | |
virtual | ~IntegrationFunctor ()=default |
Virtual default destructor for the interface. More... | |
virtual 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 =0 |
Performs one step with the respective integration method. More... | |
Interface for numerical integration methods.
This is used to ensure inheriting classes implement the method step, which performs one step with the respective integration method, thus updating the positions, velocities and forces of the particles.
Definition at line 14 of file IntegrationFunctor.h.
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virtualdefault |
Virtual default destructor for the interface.
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pure virtual |
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 |
Implemented in VerletFunctor.