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PairlistParams Struct Reference

#include <gromacs/nbnxm/pairlistparams.h>

Description

The setup for generating and pruning the nbnxn pair list.

Without dynamic pruning rlistOuter=rlistInner.

Public Member Functions

 PairlistParams (Nbnxm::KernelType kernelType, bool haveFep, real rlist, bool haveMultipleDomains)
 Constructor producing a struct with dynamic pruning disabled.
 

Public Attributes

PairlistType pairlistType
 The type of cluster-pair list.
 
bool haveFep
 Tells whether we have perturbed interactions.
 
real rlistOuter
 Cut-off of the larger, outer pair-list.
 
real rlistInner
 Cut-off of the smaller, inner pair-list.
 
bool haveMultipleDomains
 True when using DD with multiple domains.
 
bool useDynamicPruning
 Are we using dynamic pair-list pruning.
 
int nstlistPrune
 Pair-list dynamic pruning interval.
 
int numRollingPruningParts
 The number parts to divide the pair-list into for rolling pruning, a value of 1 gives no rolling pruning.
 
int lifetime
 Lifetime in steps of the pair-list.
 

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