bonded_threading_t Struct Reference

#include <gromacs/listed_forces/listed_internal.h>

Collaboration diagram for bonded_threading_t:

Description

struct contain all data for bonded force threading

Public Member Functions
	bonded_threading_t (int numThreads, int numEnergyGroups, int numComGroups, FILE *fplog)
	Constructor.
	GMX_DISALLOW_COPY_MOVE_AND_ASSIGN (bonded_threading_t)

Public Attributes
int	nthreads = 0
	Number of threads to be used for bondeds.
gmx::ThreadedForceBuffer< rvec4 >	threadedForceBuffer
	The thread parallel force and energy buffers.
bool	haveBondeds = false
	true if we have and thus need to reduce bonded forces
int	max_nthread_uniform = 0
	Maximum thread count for uniform distribution of bondeds over threads.
WorkDivision	workDivision
	The division of work in the t_list over threads.
WorkDivision	foreignLambdaWorkDivision
	Work division for free-energy foreign lambda calculations, always uses 1 thread.
std::vector < CentersOfMassScaledBuffers >	centersOfMassScaledBuffers_
	Buffers for each thread for computing scaled centers of mass for position restraints.

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

• src/gromacs/listed_forces/listed_internal.h
• src/gromacs/listed_forces/manage_threading.cpp