OriginBox Class Reference

A rectilinear Box, with periodic boundary conditions. More...

#include <box.hpp>

Inheritance diagram for OriginBox:

Public Member Functions
	OriginBox (Vec size)
Vec	diff (Vec r1, Vec r2)
	Distance between two points, given boundary conditions. More...
virtual Vec	diff (Vec r1, Vec r2, boost::array< int, NDIM > boxes)
virtual boost::array< int, NDIM >	box_round (Vec r1, Vec r2)
	The div function to go with diff. More...
	OriginBox (flt L)
flt	V ()
	Volume. Can return NaN. More...
flt	L ()
	OriginBox (flt L)
flt	V ()
	Volume. Can return NaN. More...
flt	L ()
flt	resize (flt factor)
	Resize by a factor. Does not move atoms. More...
flt	resize (flt factor, AtomGroup &atoms)
	Resize by a factor, and move atoms in the affine direction. More...
flt	resize_to (Vec newsize)
	Resize to a specific shape. Does not move atoms. More...
flt	resize_to (Vec newsize, AtomGroup &atoms)
	Resize to a specific shape, and move atoms in the affine direction. More...
flt	resize_to_V (flt newV)
	Resize to a specific volume. Does not move atoms. More...
flt	resize_to_V (flt newV, AtomGroup &atoms)
	Resize to a specific volume, and move atoms in the affine direction. More...
flt	resize_to_L (flt newL)
	Resize to a specific length. Does not move atoms. More...
flt	resize_to_L (flt newL, AtomGroup &atoms)
	Resize to a specific length, and move atoms in the affine direction. More...
Vec	rand_loc ()
	Get a random point in the box. More...
Vec	box_shape ()
void	pure_shear_to (flt epsilon)
	Apply a pure shear of epsilon to reshape box. More...
void	pure_shear_to (flt epsilon, AtomGroup &atoms)
	Apply a pure shear of epsilon, moving atoms. More...
Public Member Functions inherited from Box
virtual	~Box ()

Protected Attributes
Vec	boxsize

Detailed Description

A rectilinear Box, with periodic boundary conditions.

Examples:

hardspheres.cpp, LJatoms.cpp, and packer.cpp.

Constructor & Destructor Documentation

OriginBox::OriginBox ( Vec  size )

inline

OriginBox::OriginBox ( flt  L )

inline

OriginBox::OriginBox ( flt  L )

inline

Member Function Documentation

virtual boost::array<int,NDIM> OriginBox::box_round ( Vec  r1, Vec  r2  )

inlinevirtual

The div function to go with diff.

Reimplemented in LeesEdwardsBox.

Vec OriginBox::box_shape ( )

inline

Examples:

packer.cpp.

Vec OriginBox::diff ( Vec  r1, Vec  r2  )

inlinevirtual

Distance between two points, given boundary conditions.

This is the main function that Box exists for.

Implements Box.

Reimplemented in WalledBox2D, and LeesEdwardsBox.

Examples:

packer.cpp.

virtual Vec OriginBox::diff ( Vec  r1, Vec  r2, boost::array< int, NDIM >  boxes  )

inlinevirtual

Reimplemented in LeesEdwardsBox.

flt OriginBox::L ( )

inline

Examples:

packer.cpp.

flt OriginBox::L ( )

inline

void OriginBox::pure_shear_to

(

flt

epsilon

)

Apply a pure shear of epsilon to reshape box.

void OriginBox::pure_shear_to	(	flt	epsilon,
		AtomGroup &	atoms
	)

Apply a pure shear of epsilon, moving atoms.

Vec OriginBox::rand_loc ( )

inline

Get a random point in the box.

flt OriginBox::resize

(

flt

factor

)

Resize by a factor. Does not move atoms.

flt OriginBox::resize	(	flt	factor,
		AtomGroup &	atoms
	)

Resize by a factor, and move atoms in the affine direction.

flt OriginBox::resize_to

(

Vec

newsize

)

Resize to a specific shape. Does not move atoms.

flt OriginBox::resize_to	(	Vec	newsize,
		AtomGroup &	atoms
	)

Resize to a specific shape, and move atoms in the affine direction.

flt OriginBox::resize_to_L

(

flt

newL

)

Resize to a specific length. Does not move atoms.

flt OriginBox::resize_to_L	(	flt	newL,
		AtomGroup &	atoms
	)

Resize to a specific length, and move atoms in the affine direction.

flt OriginBox::resize_to_V

(

flt

newV

)

Resize to a specific volume. Does not move atoms.

flt OriginBox::resize_to_V	(	flt	newV,
		AtomGroup &	atoms
	)

Resize to a specific volume, and move atoms in the affine direction.

flt OriginBox::V ( )

inlinevirtual

Volume. Can return NaN.

Implements Box.

Reimplemented in WalledBox2D.

flt OriginBox::V ( )

inlinevirtual

Volume. Can return NaN.

Implements Box.

Reimplemented in WalledBox2D.

Member Data Documentation

Vec OriginBox::boxsize

protected

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

• src/box.hpp
• src/box.cpp