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exclusionchecker.cpp File Reference
#include "gmxpre.h"
#include "gromacs/nbnxm/exclusionchecker.h"
#include "gromacs/gmxlib/network.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/mdtypes/observablesreducer.h"
#include "gromacs/topology/idef.h"
#include "gromacs/topology/ifunc.h"
#include "gromacs/topology/mtop_util.h"
#include "gromacs/topology/topology.h"
#include "gromacs/utility/fatalerror.h"
+ Include dependency graph for exclusionchecker.cpp:

Description

This file defines functions to reduce and check exclusion counts.

Classes

class  ExclusionChecker::Impl
 Data to help check local topology construction. More...
 

Functions

static int computeNumGlobalPerturbedExclusions (const gmx_mtop_t &mtop)
 Compute the number of exclusions involving perturbed atoms. More...
 

Function Documentation

static int computeNumGlobalPerturbedExclusions ( const gmx_mtop_t &  mtop)
static

Compute the number of exclusions involving perturbed atoms.

Parameters
[in]mtopThe global system topology
Returns
the total number of exclusions exclusions (one-way) that involve at least one perturbed atom, including self-exclusions.