PbcAiuc Struct Reference

#include <gromacs/pbcutil/include/gromacs/pbcutil/pbc_aiuc.h>

Description

Compact and ordered version of the PBC matrix.

The structure contains all the dimensions of the periodic box, arranged so that the memory access pattern is more efficient. This duplicates the information, stored in PBC 'box' matrix object, but without duplicating off-diagonal members of the matrix. The structure can be set by setPbcAiuc( ... ) routine below.

Public Attributes
float	invBoxDiagZ
	1/box[ZZ][ZZ]
float	boxZX
	box[ZZ][XX]
float	boxZY
	box[ZZ][YY]
float	boxZZ
	box[ZZ][ZZ]
float	invBoxDiagY
	1/box[YY][YY]
float	boxYX
	box[YY][XX]
float	boxYY
	box[YY][YY]
float	invBoxDiagX
	1/box[XX][XX]
float	boxXX
	box[XX][XX]

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

• src/gromacs/pbcutil/include/gromacs/pbcutil/pbc_aiuc.h