Faunus::move::LangevinVelocityVerlet Class Reference

Symmetric Langevin velocity-Verlet method (BAOAB) More...

#include <forcemove.h>

Inheritance diagram for Faunus::move::LangevinVelocityVerlet:

Collaboration diagram for Faunus::move::LangevinVelocityVerlet:

Public Member Functions
	LangevinVelocityVerlet (Space &spc, Energy::EnergyTerm &energy)
	LangevinVelocityVerlet (Space &spc, Energy::EnergyTerm &energy, double time_step, double friction_coefficient)
	LangevinVelocityVerlet (Space &spc, Energy::EnergyTerm &energy, const json &j)
void	step (PointVector &velocities, PointVector &forces) override
void	from_json (const json &j) override
void	to_json (json &j) const override

Additional Inherited Members
Protected Member Functions inherited from Faunus::move::IntegratorBase
	IntegratorBase (Space &, Energy::EnergyTerm &)
Protected Attributes inherited from Faunus::move::IntegratorBase
Space &	spc
Energy::EnergyTerm &	energy

Detailed Description

Symmetric Langevin velocity-Verlet method (BAOAB)

The integrator can conduct normal velocity-Verlet, when friction_coefficient = 0.

Member Function Documentation

step()

void Faunus::move::LangevinVelocityVerlet::step ( PointVector &  velocities, PointVector &  forces  )

overridevirtual

Parameters

velocities	Vector of velocities
forces	Vector of forces

Note

Using rangesv3, raw loops can be avoided and allow for future c++17 execution policies:

auto rng = zip(spc.p, velocities, forces);
for (auto&& [particle, velicity, force] : rng) { ... };
std::for_each(rng.begin(), rng.end(), [](auto &&tuple){
    auto&& [particle, velicity, force] = tuple;
    ...
}};

Todo:

Splitting scheme still hard-coded to 'BAOAB'

Implements Faunus::move::IntegratorBase.

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

• src/forcemove.h
• src/forcemove.cpp