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/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/tests/
H A Dshake.cpp66 const int constraintStride = 3; variable
72 assert(0 == iatom.size() % constraintStride); in computeDisplacements()
73 int numConstraints = iatom.size() / constraintStride; in computeDisplacements()
78 int atom_i = iatom[ll * constraintStride + 1]; in computeDisplacements()
79 int atom_j = iatom[ll * constraintStride + 2]; in computeDisplacements()
94 int numConstraints = iatom.size() / constraintStride; in computeHalfOfReducedMasses()
99 int atom_i = iatom[ll * constraintStride + 1]; in computeHalfOfReducedMasses()
100 int atom_j = iatom[ll * constraintStride + 2]; in computeHalfOfReducedMasses()
158 assert(numConstraints * constraintStride == iatom.size()); in runTest()
167 assert(iatom[i * constraintStride + j] >= 0); in runTest()
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