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PbcAiuc Struct Reference

#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]
 

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