Gromacs
2022
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#include <gromacs/mdlib/lincs_gpu.h>
A pair of atoms indexes.
Indices of the two atoms involved in a single constraint
Public Member Functions | |
AtomPair () | |
Constructor, does not initialize to catch bugs and faster construction. | |
Public Attributes | |
int | index1 |
Index of atom 1. | |
int | index2 |
Index of atom 2. | |
int | i |
First atom. | |
int | j |
Second atom. | |