struct rgpot::CalculatorGroup

One independent calculator. A NEB image, a dimer end, or any other concurrent evaluation is one group. Ranks in a group share a subcommunicator. A second band is a second world, not a second split of the same one.

#include <CalculatorGroup.hpp>
 
struct CalculatorGroup {
    // fields
 
    int index = 0;
    int ranks = 1;
    int rank_in_group = 0;
    int world_size = 1;
};