Gromacs
2025-dev-20241003-bd59e46
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Data structure for thread tasks that use constructing atoms outside their own atom range.
Public Attributes | |
InteractionLists | ilist |
The interaction lists, only vsite entries are used. | |
std::vector< RVec > | force |
Thread/task-local force buffer. | |
std::vector< int > | vsite |
The atom indices of the vsites of our task. | |
std::vector< bool > | use |
Flags if elements in force are spread to or not. | |
int | nuse = 0 |
The number of entries set to true in use. | |
std::vector< AtomIndex > | atomIndex |
Array of atoms indices, size nthreads, covering all nuse set elements in use. | |
std::vector< int > | spreadTask |
List of tasks (force blocks) this task spread forces to. | |
std::vector< int > | reduceTask |
List of tasks that write to this tasks force block range. | |