| /dports/science/lammps/lammps-stable_29Sep2021/src/INTERLAYER/ |
| H A D | interlayer_taper.h | 25 static inline double calc_Tap(double r_ij, double Rcut) in calc_Tap()
46 static inline double calc_dTap(double r_ij, double Rcut) in calc_dTap()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/SW__MD_335816936951_004/ |
| H A D | helper.cpp | 33 double const * const r_ij, in ProcessVirialTerm()
49 double const * const r_ij, in ProcessParticleVirialTerm()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/SW_MX2__MD_242389978788_001/ |
| H A D | helper.cpp | 5 double const * const r_ij, in ProcessVirialTerm()
21 double const * const r_ij, in ProcessParticleVirialTerm()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/hNN__MD_435082866799_001/ |
| H A D | helper.cpp | 33 double const * const r_ij, in ProcessVirialTerm()
49 double const * const r_ij, in ProcessParticleVirialTerm()
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| /dports/math/cado-nfs/cado-nfs-f4284e2391121b2bfb97bc4880b6273c7250dc2f/sieve/ |
| H A D | las-fbroot-qlattice.hpp | 49 fb_root_in_qlattice_31bits_batch<2> (fbroot_t *r_ij, const fbprime_t p, in fb_root_in_qlattice_31bits_batch()
72 fb_root_in_qlattice_127bits_batch<2> (fbroot_t *r_ij, const fbprime_t p, in fb_root_in_qlattice_127bits_batch()
101 fb_root_in_qlattice_batch (fbroot_t *r_ij, const fbprime_t p, in fb_root_in_qlattice_batch()
121 fb_root_in_qlattice_batch (fbroot_t *r_ij, const fbprime_t p, in fb_root_in_qlattice_batch()
231 fb_root_in_qlattice_31bits_batch (fbroot_t *r_ij, const fbprime_t p, in fb_root_in_qlattice_31bits_batch()
425 fb_root_in_qlattice_127bits_batch (fbroot_t *r_ij, const fbprime_t p, in fb_root_in_qlattice_127bits_batch()
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| /dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/src/csgapps/radii/ |
| H A D | radii.cc | 91 Eigen::Vector3d r_ij = in EvalConfiguration() local
116 Eigen::Vector3d r_ij = mol.getBead(i)->getPos() - cm; in EvalConfiguration() local
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| /dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/csg-da5c1dc/src/csgapps/radii/ |
| H A D | radii.cc | 91 Eigen::Vector3d r_ij = in EvalConfiguration() local
116 Eigen::Vector3d r_ij = mol.getBead(i)->getPos() - cm; in EvalConfiguration() local
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| /dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/csg-da5c1dc/src/libcsg/ |
| H A D | orthorhombicbox.cc | 27 const Eigen::Array3d r_ij = r_j - r_i; in BCShortestConnection() local
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/pw4gww/ |
| H A D | realus.f90 | 9 SUBROUTINE adduspos_gamma_r(iw,jw,r_ij,ik,becp_iw,becp_jw) argument
37 REAL(kind=DP), INTENT(inout) :: r_ij(dfftp%nnr)!where to add the us term local
109 SUBROUTINE adduspos_r(r_ij,becp_iw,becp_jw) argument
129 COMPLEX(kind=DP), INTENT(inout) :: r_ij(dfftp%nnr)!where to add the us term local
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| H A D | dft_exchange.f90 | 316 subroutine addus_charge(r_ij,becp_iw,becp_jw) argument
339 COMPLEX(kind=DP), INTENT(inout) :: r_ij(dfftp%nnr)!where to add the us term local
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/listed_forces/ |
| H A D | gpubondedkernels.cu | 149 float3* r_ij, in bond_angle_gpu()
184 float3 r_ij; in angles_gpu() local
259 float3 r_ij; in urey_bradley_gpu() local
344 float3* r_ij, in dih_angle_gpu()
385 const float3 r_ij, in do_dih_fup_gpu()
458 float3 r_ij; in pdihs_gpu() local
505 float3 r_ij; in rbdihs_gpu() local
620 float3 r_ij; in idihs_gpu() local
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| H A D | bonded.cpp | 144 rvec r_ij, in bond_angle()
168 rvec r_ij, in dih_angle()
995 rvec r_ij, r_kj; in angles() local
1242 rvec r_ij, r_kj, r_ik, dx; in linear_angles() local
1310 rvec r_ij, r_kj, r_ik; in urey_bradley() local
1562 rvec r_ij, r_kj; in quartic_angles() local
1927 rvec r_ij, r_kj, r_kl, m, n; in pdihs() local
3446 rvec r_ij, r_kj; in g96angles() local
3511 rvec r_ij, r_kj; in cross_bond_bond() local
3583 rvec r_ij, r_kj, r_ik; in cross_bond_angle() local
[all …]
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| /dports/science/lammps/lammps-stable_29Sep2021/src/REAXFF/ |
| H A D | reaxff_nonbonded.cpp | 65 double tmp, r_ij, fn13, exp1, exp2; in vdW_Coulomb_Energy() local
221 double r_ij, base, dif; in Tabulated_vdW_Coulomb_Energy() local
314 double r_ij, LR_data *lr) in LR_vdW_Coulomb()
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| H A D | reaxff_torsion_angles.cpp | 37 double Calculate_Omega(rvec dvec_ij, double r_ij, rvec dvec_jk, double r_jk, in Calculate_Omega()
128 double r_ij, r_jk, r_kl, r_li; in Torsion_Angles() local
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| /dports/math/libmesh/libmesh-1.6.2/src/solution_transfer/ |
| H A D | radial_basis_interpolation.C | 126 const Real r_ij = (x_j - x_i).norm(); in prepare_for_use() local
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| /dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/ |
| H A D | reaxff_nonbonded_omp.cpp | 61 double tmp, r_ij, fn13, exp1, exp2; in vdW_Coulomb_Energy_OMP() local
246 double r_ij, base, dif; in Tabulated_vdW_Coulomb_Energy_OMP() local
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| H A D | pair_tersoff_table_omp.cpp | 147 double dr_ij[3], r_ij; in eval() local
234 double dr_ij[3], r_ij, f_ij[3]; in eval() local
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| H A D | pair_edip_omp.cpp | 184 double dr_ij[3], r_ij; in eval() local
288 double dr_ij[3], r_ij, f_ij[3]; in eval() local
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| /dports/science/libefp/libefp-1.5.0/src/ |
| H A D | xr.c | 42 charge_penetration_energy(double s_ij, double r_ij) in charge_penetration_energy()
73 double r_ij = vec_len(&dr); in charge_penetration_grad() local
206 double r_ij = vec_len(&dr); in lmo_lmo_xr_grad() local
442 double r_ij = vec_len(&dr); in lmo_lmo_xr_energy() local
571 double r_ij = vec_len(&dr); in efp_frag_frag_xr() local
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| /dports/science/lammps/lammps-stable_29Sep2021/src/MANYBODY/ |
| H A D | pair_edip_multi.cpp | 64 static inline void costheta_d(const double *dr_ij, const double r_ij, in costheta_d()
161 double delx, dely, delz, r_ij; in compute() local
199 double dr_ij[3], r_ij, f_ij[3]; in compute() local
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/EAM_CubicNaturalSpline__MD_853402641673_002/ |
| H A D | EAM_Implementation.hpp | 424 double * r_ij; in Compute() local
543 double * r_ij; in Compute() local
736 double * r_ij; in Compute() local
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/EAM_Dynamo__MD_120291908751_005/ |
| H A D | EAM_Implementation.hpp | 424 double * r_ij; in Compute() local
543 double * r_ij; in Compute() local
736 double * r_ij; in Compute() local
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/EAM_QuinticHermiteSpline__MD_029719603993_003/ |
| H A D | EAM_Implementation.hpp | 424 double * r_ij; in Compute() local
543 double * r_ij; in Compute() local
736 double * r_ij; in Compute() local
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/EAM_QuinticClampedSpline__MD_532469991695_003/ |
| H A D | EAM_Implementation.hpp | 424 double * r_ij; in Compute() local
543 double * r_ij; in Compute() local
736 double * r_ij; in Compute() local
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxana/ |
| H A D | nrama.cpp | 77 rvec r_ij, r_kj, r_kl, m, n; in calc_dihs() local
|