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List of all members | Public Member Functions
PairlistSets Class Reference

#include <gromacs/nbnxm/pairlistsets.h>

Description

Contains sets of pairlists.

Public Member Functions

 PairlistSets (const PairlistParams &pairlistParams, bool haveMultipleDomains, int minimumIlistCountForGpuBalancing)
 Constructor.
 
void construct (gmx::InteractionLocality iLocality, PairSearch *pairSearch, nbnxn_atomdata_t *nbat, const gmx::ListOfLists< int > &exclusions, int64_t step, t_nrnb *nrnb)
 Construct the pairlist set for the given locality.
 
void dispatchPruneKernel (gmx::InteractionLocality iLocality, const nbnxn_atomdata_t *nbat, const rvec *shift_vec)
 Dispatches the dynamic pruning kernel for the given locality.
 
const PairlistParams & params () const
 Returns the pair list parameters.
 
int numStepsWithPairlist (int64_t step) const
 Returns the number of steps performed with the current pair list.
 
bool isDynamicPruningStepCpu (int64_t step) const
 Returns whether step is a dynamic list pruning step, for CPU lists.
 
bool isDynamicPruningStepGpu (int64_t step) const
 Returns whether step is a dynamic list pruning step, for GPU lists.
 
void changePairlistRadii (real rlistOuter, real rlistInner)
 Changes the pair-list outer and inner radius.
 
const PairlistSet & pairlistSet (gmx::InteractionLocality iLocality) const
 Returns the pair-list set for the given locality.
 

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