Gromacs  2022.2
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
List of all members | Public Member Functions | Public Attributes
bonded_threading_t Struct Reference

#include <gromacs/listed_forces/listed_internal.h>

+ Collaboration diagram for bonded_threading_t:


struct contain all data for bonded force threading

Public Member Functions

 bonded_threading_t (int numThreads, int numEnergyGroups, FILE *fplog)

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.

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