Searched refs:half_of_reduced_mass (Results 1 – 2 of 2) sorted by relevance
| /dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/ |
| H A D | shake.h | 76 std::vector<real> half_of_reduced_mass; member
139 ArrayRef<const real> half_of_reduced_mass,
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| H A D | shake.cpp | 278 ArrayRef<const real> half_of_reduced_mass, in cshake() argument
338 omega * diff * half_of_reduced_mass[ll] / r_dot_r_prime; in cshake()
463 shaked->half_of_reduced_mass.resize(ncon); in vec_shakef()
468 ArrayRef<real> half_of_reduced_mass = shaked->half_of_reduced_mass; in vec_shakef() local
489 half_of_reduced_mass[ll] = 1.0_real / mm; in vec_shakef()
506 half_of_reduced_mass, omega, invmass, distance_squared_tolerance, in vec_shakef()
511 half_of_reduced_mass, omega, invmass, distance_squared_tolerance, in vec_shakef()
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