| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/hNN__MD_435082866799_001/ |
| H A D | descriptor.cpp | 263 double cos_ijk = (rijsq + riksq - rjksq) / (2 * rij * rik); in sym_g4() local
317 double cos_ijk = (rijsq + riksq - rjksq) / (2 * rij * rik); in sym_d_g4() local
437 double cos_ijk = (rijsq + riksq - rjksq) / (2 * rij * rik); in sym_g5() local
484 double cos_ijk = (rijsq + riksq - rjksq) / (2 * rij * rik); in sym_d_g5() local
553 double cos_ijk = (rijsq + riksq - rjksq) / (2 * rijmag * rikmag); in precompute_g4() local
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| /dports/science/py-kliff/kliff-0.3.0/kliff/descriptors/symmetry_function/ |
| H A D | sym_fn.cpp | 708 double const cos_ijk = (rijsq + riksq - rjksq) / (2 * rij * rik); in sym_g4() local
753 double const cos_ijk = (rijsq + riksq - rjksq) / (2 * rij * rik); in sym_d_g4() local
843 double const cos_ijk = (rijsq + riksq - rjksq) / (2 * rij * rik); in sym_g5() local
889 double const cos_ijk = (rijsq + riksq - rjksq) / (2 * rij * rik); in sym_d_g5() local
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/DUNN__MD_292677547454_000/ |
| H A D | descriptor.cpp | 748 double cos_ijk = (rijsq + riksq - rjksq) / (2 * rij * rik); in sym_g4() local
794 double cos_ijk = (rijsq + riksq - rjksq) / (2 * rij * rik); in sym_d_g4() local
874 double cos_ijk = (rijsq + riksq - rjksq) / (2 * rij * rik); in sym_g5() local
919 double cos_ijk = (rijsq + riksq - rjksq) / (2 * rij * rik); in sym_d_g5() local
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| /dports/science/lammps/lammps-stable_29Sep2021/src/REAXFF/ |
| H A D | reaxff_torsion_angles.cpp | 45 double sin_ijk, cos_ijk, sin_jkl, cos_jkl; in Calculate_Omega() local
137 double cos_ijk, cos_jkl; in Torsion_Angles() local
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| /dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/ |
| H A D | reaxff_torsion_angles_omp.cpp | 80 double cos_ijk, cos_jkl; in Torsion_AnglesOMP() local
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| /dports/science/lammps/lammps-stable_29Sep2021/src/MANYBODY/ |
| H A D | pair_lcbop.cpp | 712 double cos_ijk = ((rij[0]*rik[0])+(rij[1]*rik[1])+(rij[2]*rik[2])) in b() local
737 double cos_ijk = ((rij[0]*rik[0])+(rij[1]*rik[1])+(rij[2]*rik[2])) in b() local
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| /dports/science/openbabel/openbabel-3.1.1/src/ |
| H A D | forcefield.cpp | 3750 double cos_ijk = VectorDot(ij, jk); in VectorAngleDerivative() local
3812 double cos_ijk = VectorDot(ij, jk); in VectorAngle() local
4216 double cos_ijk = VectorDot(ij, jk); in VectorTorsionDerivative() local
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/ |
| H A D | coor.cc | 946 IntCoorGen::cos_ijk(Molecule& m, int i, int j, int k) in cos_ijk() function in IntCoorGen
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/PANNA__MD_805652781592_000/ |
| H A D | PANNA.cpp | 269 double const cos_ijk in compute_gvect() local
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| /dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/ |
| H A D | pair_reaxff_kokkos.cpp | 2506 F_FLOAT theta_ijk, theta_jil, sin_ijk, sin_jil, cos_ijk, cos_jil, tan_ijk_i, tan_jil_i; in operator ()() local
|