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PbcAiuc Struct Reference

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


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
float boxZX
float boxZY
float boxZZ
float invBoxDiagY
float boxYX
float boxYY
float invBoxDiagX
float boxXX

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