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/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/tests/
H A Dshake.cpp203 std::vector<RVec> finalDisplacements = computeDisplacements(iatom, finalPositions); in runTest() local
204 std::vector<real> finalDistancesSquared = computeDistancesSquared(finalDisplacements); in runTest()