gmx::anonymous_namespace{domainpaircomm.cpp}::DistanceCalculationInfo Struct Reference

Collaboration diagram for gmx::anonymous_namespace{domainpaircomm.cpp}::DistanceCalculationInfo:

Description

Information for distance calculations between domains.

Public Attributes
IVec	zoneShift = { 0, 0, 0 }
	Whether this zone is shifted wrt zone 0 for Cartesian dimensions.
bool	isTriclinic = false
	Whether the unit cell is triclinic.
ArrayRef< const RVec >	normal
	Normals for the unit cell faces.
IVec	sumSquares = { 0, 0, 0 }
	Whether we should take into account non-orthogonal normals of faces.
bool	checkMultiBodyDistance = false
	Whether we need to check distances for multi-body interactions when selecting clusters.
bool	checkTwoBodyDistance = false
	Whether we need to check distances for two-body bonded interactions when selecting clusters.
real	cutoffSquaredTwoBody1
	Cut-off squared for 2-body interaction distances, includes one maxAtomGroupRadius.
real	cutoffSquaredMultiBody1
	Cut-off squared for multi-body interaction distances, includes one maxAtomGroupRadius.
real	cutoffSquaredTwoBody2
	Cut-off squared for 2-body interaction distances, includes 2 * maxAtomGroupRadius.
real	cutoffSquaredMultiBody2
	Cut-off squared for multi-body interaction distances, includes 2 *maxAtomGroupRadius.
bool	filterBondComm = false

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

• src/gromacs/domdec/domainpaircomm.cpp