gmx::gmx_domdec_zone_size_t Struct Reference

#include <gromacs/domdec/domdec_zones.h>

Collaboration diagram for gmx::gmx_domdec_zone_size_t:

Description

Triclinic corners and the Cartesian bounding box.

Note that at decomposition steps atoms can be, slightly, ouf of these bounds when update groups are used. At other steps somes atoms can (and usually will) move/diffuse outside of these bounds.

Public Attributes
gmx::RVec	x0 = { 0, 0, 0 }
gmx::RVec	x1 = { 0, 0, 0 }
gmx::RVec	bb_x0 = { 0, 0, 0 }
gmx::RVec	bb_x1 = { 0, 0, 0 }

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

• src/gromacs/domdec/domdec_zones.h