Home
last modified time | relevance | path

Searched refs:constrainedDistancesSquared (Results 1 – 1 of 1) sorted by relevance

/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/tests/
H A Dshake.cpp173 std::vector<real> constrainedDistancesSquared; in runTest() local
178constrainedDistancesSquared.push_back(constrainedDistances[i] * constrainedDistances[i]); in runTest()
180 0.5 / (constrainedDistancesSquared.back() * ShakeTest::tolerance_)); in runTest()
199 constrainedDistancesSquared, finalPositions, nullptr, initialDisplacements, in runTest()
217 … test::absoluteTolerance(std::sqrt(constrainedDistancesSquared[i]) * ShakeTest::tolerance_ in runTest()
220 EXPECT_FLOAT_EQ_TOL(std::sqrt(constrainedDistancesSquared[i]), in runTest()