Gromacs
2024.3
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#include <gromacs/mdlib/constraint_gpu_helpers.h>
Helper type for discovering coupled constraints.
Public Member Functions | |
AtomsAdjacencyListElement (int indexOfSecondConstrainedAtom, int indexOfConstraint, int signFactor) | |
Public Attributes | |
int | indexOfSecondConstrainedAtom_ |
The index of the other atom constrained to this atom. | |
int | indexOfConstraint_ |
The index of this constraint in the container of constraints. | |
int | signFactor_ |
A multiplicative factor that indicates the relative order of the atoms in the atom list. More... | |
int AtomsAdjacencyListElement::signFactor_ |
A multiplicative factor that indicates the relative order of the atoms in the atom list.
Used for computing the mass factor of this constraint relative to any coupled constraints.