Gromacs
2022.2
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#include <gromacs/selection/position.h>
Stores a set of positions together with their origins.
Public Member Functions | |
gmx_ana_pos_t () | |
Initializes an empty position structure. | |
int | count () const |
Returns the number of positions. | |
Public Attributes | |
rvec * | x |
Array of positions. | |
rvec * | v |
Velocities (can be NULL). | |
rvec * | f |
Forces (can be NULL). | |
gmx_ana_indexmap_t | m |
Mapping of the current positions to the original group. More... | |
int | nalloc_x |
Number of elements allocated for x . | |
gmx_ana_indexmap_t gmx_ana_pos_t::m |
Mapping of the current positions to the original group.