gmx::ForceBuffers Class Reference

#include <gromacs/mdtypes/forcebuffers.h>

Description

Object that holds the force buffers.

Contains a normal force buffer and optionally a force buffer for combined fast and slow forces for use with multiple time stepping. More buffers can be added when needed. Those should also be added to ForceBuffersView. The force buffer (not forceMtsCombined) can be pinned for efficient transfer to/from GPUs. All access happens through the ForceBuffersView object.

Public Member Functions
	ForceBuffers ()
	Constructor, creates an empty force buffer with pinning not active and no MTS force buffer.
	ForceBuffers (bool useForceMtsCombined, PinningPolicy pinningPolicy)
	Constructor, with options for using the MTS force buffer and the pinning policy. More...
	ForceBuffers (const ForceBuffers &o)=delete
	Copy constructor deleted, but could be implemented.
	ForceBuffers (ForceBuffers &&o)=delete
	Move constructor deleted, but could be implemented.
ForceBuffers &	operator= (ForceBuffers const &o)
	Copy assignment operator, sets the pinning policy to CannotBePinned. More...
ForceBuffers &	operator= (ForceBuffers &&o)=delete
	Move assignment operator, deleted but could be implemented.
const ForceBuffersView &	view () const
	Returns a const view to the force buffers.
ForceBuffersView &	view ()
	Returns a view to the force buffer.
void	resize (int numAtoms)
	Resize the force buffer.
PinningPolicy	pinningPolicy () const
	Returns the active pinning policy. More...

Constructor & Destructor Documentation

gmx::ForceBuffers::ForceBuffers	(	bool	useForceMtsCombined,
		PinningPolicy	pinningPolicy
	)

Constructor, with options for using the MTS force buffer and the pinning policy.

Parameters

[in]	useForceMtsCombined	Whether to enable use of the forceMtsCombined buffer
[in]	pinningPolicy	The pinning policy for the force (not MTS) buffer

Member Function Documentation

ForceBuffers & gmx::ForceBuffers::operator=

(

ForceBuffers const &

o

)

Initial value:

{ pinningPolicy }),
    forceMtsCombined_({}),
    view_({}, {}, useForceMtsCombined),
    useForceMtsCombined_(useForceMtsCombined)
{
}

ForceBuffers::~ForceBuffers() = default

Copy assignment operator, sets the pinning policy to CannotBePinned.

PinningPolicy gmx::ForceBuffers::pinningPolicy

(

)

const

Returns the active pinning policy.

Does not throw.

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

• src/gromacs/mdtypes/forcebuffers.h
• src/gromacs/mdtypes/forcebuffers.cpp