Searched defs:rijx (Results 1 – 3 of 3) sorted by relevance
/dports/science/gabedit/GabeditSrc251_300720/src/MolecularMechanics/ |
H A D | MolecularMechanics.c | 1414 gdouble rijx, rijy, rijz, forceConstant, equilibriumDistance, term; in calculateGradientBondAmber() local 1488 gdouble rijx, rijy, rijz; in calculateGradientBendAmber() local 1812 gdouble rijx, rijy, rijz; in calculateGradientNonBondedAmber() local 1906 gdouble rijx, rijy, rijz; in calculateGradientHydrogenBondedAmber() local 1964 gdouble rijx, rijy, rijz; in calculateGradientPairWise() local 2197 gdouble rijx, rijy, rijz, forceConstant, equilibriumDistance, term; in calculateEnergyBondAmber() local 2334 gdouble rijx, rijy, rijz; in calculateEnergyfNonBondedAmber() local 2400 gdouble rijx, rijy, rijz; in calculateEnergyHydrogenBondedAmber() local 2458 gdouble rijx, rijy, rijz; in calculateEnergyPairWise() local
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/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/ |
H A D | shake.cpp | 299 const real rijx = initial_displacements[ll][XX]; in cshake() local 395 const real rijx = rij[ll][XX]; in crattle() local
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/dports/science/lammps/lammps-stable_29Sep2021/src/INTEL/ |
H A D | pair_airebo_intel.cpp | 871 flt_t rijx, flt_t rijy, flt_t rijz, flt_t rijmag, flt_t wij, flt_t VA, in frebo_pij()
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