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compute_verlet_integration.hh
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Fri, Mar 29, 00:10

compute_verlet_integration.hh

#ifndef __COMPUTE_VERLET_INTEGRATION__HH__
#define __COMPUTE_VERLET_INTEGRATION__HH__
/* -------------------------------------------------------------------------- */
#include "compute.hh"
#include "compute_interaction.hh"
/* -------------------------------------------------------------------------- */
#include <cmath>
//! Integrate equation of motion
class ComputeVerletIntegration : public Compute {
using InteractionList = std::vector<std::shared_ptr<ComputeInteraction>>;
// Constructors/Destructors
public:
ComputeVerletIntegration(Real timestep);
// Methods
public:
//! Set time step
void setDeltaT(Real dt);
//! Evolve positions and velocities
void compute(System& system) override;
//! Add an interaction to the computation of forces
void addInteraction(std::shared_ptr<ComputeInteraction> interaction);
private:
Real dt;
InteractionList interactions;
};
/* -------------------------------------------------------------------------- */
#endif //__COMPUTE_VERLET_INTEGRATION__HH__

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