Gromacs  2026.0-dev-20241106-9ba7f4d
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
Classes
boundingbox.h File Reference
#include <algorithm>
#include "gromacs/math/vec.h"
+ Include dependency graph for boundingbox.h:
+ This graph shows which files directly or indirectly include this file:

Description

Declares and defines the BoundingBox class.

Can be used for computing rectangular bounding boxes of clusters of atoms and for computing an underestimate of the distance between such clusters.

Author
Berk Hess hess@.nosp@m.kth..nosp@m.se

Classes

struct  gmx::BoundingBox
 Bounding box for a nbnxm atom cluster. More...
 
struct  gmx::BoundingBox::Corner
 Corner for the bounding box, padded with one element to enable 4-wide SIMD operations. More...