Class for measurements of velocity autocorrelation in MPC fluids that consist of chains of particles. More...

#include <Chains.hpp>

Inheritance diagram for OpenMPCD::CUDA::MPCFluid::Instrumentation::VelocityAutocorrelation::Chains:

Collaboration diagram for OpenMPCD::CUDA::MPCFluid::Instrumentation::VelocityAutocorrelation::Chains:

[legend]

Public Member Functions
	Chains (const unsigned int chainLength_, const Simulation const sim, DeviceMemoryManager devMemMgr, const MPCFluid::Base *const mpcFluid_)
	The constructor. More...

virtual	~Chains ()
	The destructor. More...

void	measure ()
	Performs measurements. More...

void	save (const std::string &rundir) const
	Saves the data to the given run directory. More...

Static Public Member Functions
static bool	isConfigured (const Simulation *const sim)
	Returns whether the given simulation configured this instrumentation. More...

Protected Member Functions
virtual void	populateCurrentVelocities ()
	Populates the currentVelocities buffer with the current velocities of the fluid constituents. More...

Protected Attributes
const Simulation *const	simulation
	The simulation instance. More...

DeviceMemoryManager *const	deviceMemoryManager
	The Device memory manager. More...

const MPCFluid::Base *const	mpcFluid
	The fluid to measure. More...

const unsigned int	numberOfConstituents
	The number of logical constituents (e.g. pairs, triplets, ...) in the fluid. More...

FP	measurementTime
	The maximum time between snapshots. More...

std::vector< Snapshot * >	snapshots
	The snapshots of the fluid constituent velocities. More...

MPCParticleVelocityType *	currentVelocities
	Current velocities of the fluid constituents. More...

std::deque< boost::tuple< FP, FP, MPCParticleVelocityType > >	autocorrelations
	Collection of tuples consisting of, in that order, \( t_i \), \( t_j \), and \( V \left( t_i, t_j \right) \). More...

Detailed Description

Class for measurements of velocity autocorrelation in MPC fluids that consist of chains of particles.

All chains are assumed to be of the same length.

The particles that belong to one chain are assumed to be adjacent to each other in memory. E.g. chain 0 consists of particles [0,n-1], chain 1 of particles [n,2n-1], etc.

Definition at line 29 of file Instrumentation/VelocityAutocorrelation/Chains.hpp.

Constructor & Destructor Documentation

◆ Chains()

OpenMPCD::CUDA::MPCFluid::Instrumentation::VelocityAutocorrelation::Chains::Chains	(	const unsigned int	chainLength_,
		const Simulation *const	sim,
		DeviceMemoryManager *	devMemMgr,
		const MPCFluid::Base *const	mpcFluid_
	)

The constructor.

Parameters

[in]	chainLength_	The number of MPC fluid particles per chain.
[in]	sim	The simulation instance.
[in]	devMemMgr	The Device memory manager.
[in]	mpcFluid_	The MPC fluid to measure.

◆ ~Chains()

virtual OpenMPCD::CUDA::MPCFluid::Instrumentation::VelocityAutocorrelation::Chains::~Chains ( )

inlinevirtual

The destructor.

Definition at line 50 of file Instrumentation/VelocityAutocorrelation/Chains.hpp.

Member Function Documentation

◆ isConfigured()

static bool OpenMPCD::CUDA::MPCFluid::Instrumentation::VelocityAutocorrelation::Base::isConfigured ( const Simulation *const sim )

staticinherited

Returns whether the given simulation configured this instrumentation.

Parameters

[in] sim The simulation instance.

Exceptions

NULLPointerException Throws if sim is nullptr.

◆ measure()

void OpenMPCD::CUDA::MPCFluid::Instrumentation::VelocityAutocorrelation::Base::measure ( )

inherited

Performs measurements.

◆ populateCurrentVelocities()

virtual void OpenMPCD::CUDA::MPCFluid::Instrumentation::VelocityAutocorrelation::Chains::populateCurrentVelocities ( )

protectedvirtual

Populates the currentVelocities buffer with the current velocities of the fluid constituents.

Implements OpenMPCD::CUDA::MPCFluid::Instrumentation::VelocityAutocorrelation::Base.

◆ save()

void OpenMPCD::CUDA::MPCFluid::Instrumentation::VelocityAutocorrelation::Base::save ( const std::string & rundir ) const

inherited

Saves the data to the given run directory.

The given run directory is created if necessary, and so is the data file therein; if the data file already exists, it will be truncated.

Multiple lines will be written to the file, each consisting of three tab-separated columns: The first column corresponds to the simulation time \( t_i \) of a snapshot \( i \); the second column to the simulation time \( t_j \ge t_i \) ; and finally, the third column contains \( V \left( t_i, t_j \right) \). One such line will be written for every measured \( V \) (see class documentation for details).

The lines are ordered by ascending \( t_j \) first, and then by ascending snapshot position in memory (see class documentation for details).

Parameters

[in] rundir The path to the run directory. Within that directory, the data will be saved to the file velocityAutocorrelations.data.

Member Data Documentation

◆ autocorrelations

std::deque<boost::tuple<FP, FP, MPCParticleVelocityType> > OpenMPCD::CUDA::MPCFluid::Instrumentation::VelocityAutocorrelation::Base::autocorrelations

protectedinherited

Collection of tuples consisting of, in that order, \( t_i \), \( t_j \), and \( V \left( t_i, t_j \right) \).

Definition at line 320 of file CUDA/MPCFluid/Instrumentation/VelocityAutocorrelation/Base.hpp.

◆ currentVelocities

MPCParticleVelocityType* OpenMPCD::CUDA::MPCFluid::Instrumentation::VelocityAutocorrelation::Base::currentVelocities

protectedinherited

Current velocities of the fluid constituents.

Definition at line 318 of file CUDA/MPCFluid/Instrumentation/VelocityAutocorrelation/Base.hpp.

◆ deviceMemoryManager

DeviceMemoryManager* const OpenMPCD::CUDA::MPCFluid::Instrumentation::VelocityAutocorrelation::Base::deviceMemoryManager

protectedinherited

The Device memory manager.

Definition at line 309 of file CUDA/MPCFluid/Instrumentation/VelocityAutocorrelation/Base.hpp.

◆ measurementTime

FP OpenMPCD::CUDA::MPCFluid::Instrumentation::VelocityAutocorrelation::Base::measurementTime

protectedinherited

The maximum time between snapshots.

Definition at line 315 of file CUDA/MPCFluid/Instrumentation/VelocityAutocorrelation/Base.hpp.

◆ mpcFluid

const MPCFluid::Base* const OpenMPCD::CUDA::MPCFluid::Instrumentation::VelocityAutocorrelation::Base::mpcFluid

protectedinherited

The fluid to measure.

Definition at line 310 of file CUDA/MPCFluid/Instrumentation/VelocityAutocorrelation/Base.hpp.

◆ numberOfConstituents

const unsigned int OpenMPCD::CUDA::MPCFluid::Instrumentation::VelocityAutocorrelation::Base::numberOfConstituents

protectedinherited

The number of logical constituents (e.g. pairs, triplets, ...) in the fluid.

Definition at line 312 of file CUDA/MPCFluid/Instrumentation/VelocityAutocorrelation/Base.hpp.

◆ simulation

const Simulation* const OpenMPCD::CUDA::MPCFluid::Instrumentation::VelocityAutocorrelation::Base::simulation

protectedinherited

The simulation instance.

Definition at line 308 of file CUDA/MPCFluid/Instrumentation/VelocityAutocorrelation/Base.hpp.

◆ snapshots

std::vector<Snapshot*> OpenMPCD::CUDA::MPCFluid::Instrumentation::VelocityAutocorrelation::Base::snapshots

protectedinherited

The snapshots of the fluid constituent velocities.

Definition at line 317 of file CUDA/MPCFluid/Instrumentation/VelocityAutocorrelation/Base.hpp.

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

Instrumentation/VelocityAutocorrelation/Chains.hpp

Public Member Functions

Static Public Member Functions

Protected Member Functions

Protected Attributes

Detailed Description

Constructor & Destructor Documentation

◆ Chains()

◆ ~Chains()

Member Function Documentation

◆ isConfigured()

◆ measure()

◆ populateCurrentVelocities()

◆ save()

Member Data Documentation

◆ autocorrelations

◆ currentVelocities

◆ deviceMemoryManager

◆ measurementTime

◆ mpcFluid

◆ numberOfConstituents

◆ simulation

◆ snapshots