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/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/tests/
H A Dshake.cpp128 class ShakeTest : public ::testing::Test class
180 0.5 / (constrainedDistancesSquared.back() * ShakeTest::tolerance_)); in runTest()
198 cshake(iatom.data(), numConstraints, &numIterations, ShakeTest::maxNumIterations_, in runTest()
209 EXPECT_LT(numIterations, ShakeTest::maxNumIterations_); in runTest()
237 const real ShakeTest::tolerance_ = 1e-5;
238 const int ShakeTest::maxNumIterations_ = 30;
239 const real ShakeTest::omega_ = 1.0;
241 TEST_F(ShakeTest, ConstrainsOneBond) in TEST_F() argument
261 TEST_F(ShakeTest, ConstrainsTwoDisjointBonds) in TEST_F() argument
286 TEST_F(ShakeTest, ConstrainsTwoBondsWithACommonAtom) in TEST_F() argument
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