| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/EAM_QuinticHermiteSpline__MD_029719603993_003/ |
| H A D | EAM_Implementation.cpp | 1966 const double * const r_ij, in ProcessVirialTerm()
1983 const double * const r_ij, in ProcessParticleVirialTerm()
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| /dports/biology/protomol/protomol/applications/iSGProtomol-app/frontend/ |
| H A D | buildISGTopology.cpp | 611 Real r_ij = sigma_i + sigma_j; in buildISGTopology() local
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| /dports/science/gromacs/gromacs-2021.4/api/nblib/listed_forces/ |
| H A D | kernels.hpp | 511 const gmx::RVec& r_ij, in spreadThreeCenterForces()
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/ |
| H A D | bfgs_optimizer.F | 961 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: r_ij local
1090 REAL(KIND=dp), DIMENSION(:, :, :) :: r_ij local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/motion/ |
| H A D | bfgs_optimizer.F | 961 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: r_ij local
1090 REAL(KIND=dp), DIMENSION(:, :, :) :: r_ij local
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/Tersoff_LAMMPS__MD_077075034781_004/ |
| H A D | pair_tersoff.cpp | 154 const double r_ij = sqrt(rsq_ij); in compute() local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qmmmx_util.F | 453 REAL(dp) :: r_ij(3), r_ij_mag local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qmmmx_util.F | 453 REAL(dp) :: r_ij(3), r_ij_mag local
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/MEAM_LAMMPS__MD_249792265679_000/ |
| H A D | meam_implementation.cpp | 3429 double const r_ij = bond_j->r; in MeamSplineCompute() local
3905 double const r_ij = bond_j->r; in MeamSWSplineCompute() local
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/pulling/ |
| H A D | pull.cpp | 792 dvec* r_ij; /* x[i] com of i in prev. step. Obeys constr. -> r_ij[i] */ in do_constraint() local
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxana/ |
| H A D | gmx_dipoles.cpp | 253 rvec r_ij, r_kj, r_kl, mm, nn; in do_gkr() local
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| /dports/science/code_saturne/code_saturne-7.1.0/src/lagr/ |
| H A D | cs_lagr_tracking.c | 1640 cs_real_t *r_ij = &(extra->cvar_rij->vals[0][6*cell_id]); in _boundary_treatment() local
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/dft/ |
| H A D | integrator.cc | 843 SCVector3 r_ij = centers[icenter] - centers[jcenter]; in compute_t() local
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxpreprocess/ |
| H A D | gen_vsite.cpp | 982 rvec r_ij, r_ik, t1, t2; in gen_vsites_trp() local
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| /dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/ |
| H A D | pair_reaxff_kokkos.cpp | 570 void PairReaxFFKokkos<DeviceType>::LR_vdW_Coulomb(int i, int j, double r_ij, LR_data *lr) in LR_vdW_Coulomb()
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