ObjCryst::Crystal::BumpMergePar Struct Reference

Storage for anti-bump/merge parameters. More...

List of all members.

Public Member Functions
	BumpMergePar ()
	BumpMergePar (const REAL dist, const bool canOverlap=false)
	Constructor.
Public Attributes
REAL	mDist2
	The squared antibump interatomic distance.
bool	mCanOverlap
	Can the two atoms completely overlap ?

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Detailed Description

Storage for anti-bump/merge parameters.

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Constructor & Destructor Documentation

ObjCryst::Crystal::BumpMergePar::BumpMergePar (   )

ObjCryst::Crystal::BumpMergePar::BumpMergePar (  const REAL  dist, const bool  canOverlap = false )

Constructor. Parameters: dist:  the bump/merge distance in Angstroems

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Member Data Documentation

bool ObjCryst::Crystal::BumpMergePar::mCanOverlap

Can the two atoms completely overlap ?

REAL ObjCryst::Crystal::BumpMergePar::mDist2

The squared antibump interatomic distance.

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

• Crystal.h

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