/dports/science/gabedit/GabeditSrc251_300720/src/SemiEmpirical/ |
H A D | AtomSE.c | 72 gdouble xkj, ykj, zkj; in getTorsionSE() local 84 zkj = C3[ 2 ] - C2[ 2 ]; in getTorsionSE() 89 dx = yij * zkj - zij * ykj; in getTorsionSE() 90 dy = zij * xkj - xij * zkj; in getTorsionSE() 92 gx = zkj * ykl - ykj * zkl; in getTorsionSE() 93 gy = xkj * zkl - zkj * xkl; in getTorsionSE() 113 d = xkj*(dz*gy-dy*gz) + ykj*(dx*gz-dz*gx) + zkj*(dy*gx-dx*gy); in getTorsionSE()
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/dports/science/gabedit/GabeditSrc251_300720/src/MolecularMechanics/ |
H A D | Atom.c | 72 gdouble xkj, ykj, zkj; in getTorsion() local 84 zkj = C3[ 2 ] - C2[ 2 ]; in getTorsion() 89 dx = yij * zkj - zij * ykj; in getTorsion() 90 dy = zij * xkj - xij * zkj; in getTorsion() 92 gx = zkj * ykl - ykj * zkl; in getTorsion() 93 gy = xkj * zkl - zkj * xkl; in getTorsion() 113 d = xkj*(dz*gy-dy*gz) + ykj*(dx*gz-dz*gx) + zkj*(dy*gx-dx*gy); in getTorsion()
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/dports/math/suitesparse-klu/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/ |
H A D | sparseinv.c | 53 double ljk, zkj ; in sparseinv() local 116 zkj = 0 ; in sparseinv() 124 zkj -= Ux [up] * z [i] ; in sparseinv() 127 z [k] = zkj ; in sparseinv()
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/dports/math/suitesparse-config/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/ |
H A D | sparseinv.c | 53 double ljk, zkj ; in sparseinv() local 116 zkj = 0 ; in sparseinv() 124 zkj -= Ux [up] * z [i] ; in sparseinv() 127 z [k] = zkj ; in sparseinv()
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/dports/math/suitesparse-amd/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/ |
H A D | sparseinv.c | 53 double ljk, zkj ; in sparseinv() local 116 zkj = 0 ; in sparseinv() 124 zkj -= Ux [up] * z [i] ; in sparseinv() 127 z [k] = zkj ; in sparseinv()
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/dports/math/suitesparse-mongoose/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/ |
H A D | sparseinv.c | 53 double ljk, zkj ; in sparseinv() local 116 zkj = 0 ; in sparseinv() 124 zkj -= Ux [up] * z [i] ; in sparseinv() 127 z [k] = zkj ; in sparseinv()
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/dports/math/suitesparse-graphblas/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/ |
H A D | sparseinv.c | 53 double ljk, zkj ; in sparseinv() local 116 zkj = 0 ; in sparseinv() 124 zkj -= Ux [up] * z [i] ; in sparseinv() 127 z [k] = zkj ; in sparseinv()
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/dports/math/suitesparse-ldl/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/ |
H A D | sparseinv.c | 53 double ljk, zkj ; in sparseinv() local 116 zkj = 0 ; in sparseinv() 124 zkj -= Ux [up] * z [i] ; in sparseinv() 127 z [k] = zkj ; in sparseinv()
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/dports/math/suitesparse-cholmod/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/ |
H A D | sparseinv.c | 53 double ljk, zkj ; in sparseinv() local 116 zkj = 0 ; in sparseinv() 124 zkj -= Ux [up] * z [i] ; in sparseinv() 127 z [k] = zkj ; in sparseinv()
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/dports/math/suitesparse-colamd/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/ |
H A D | sparseinv.c | 53 double ljk, zkj ; in sparseinv() local 116 zkj = 0 ; in sparseinv() 124 zkj -= Ux [up] * z [i] ; in sparseinv() 127 z [k] = zkj ; in sparseinv()
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/dports/math/suitesparse-ccolamd/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/ |
H A D | sparseinv.c | 53 double ljk, zkj ; in sparseinv() local 116 zkj = 0 ; in sparseinv() 124 zkj -= Ux [up] * z [i] ; in sparseinv() 127 z [k] = zkj ; in sparseinv()
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/dports/math/suitesparse-camd/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/ |
H A D | sparseinv.c | 53 double ljk, zkj ; in sparseinv() local 116 zkj = 0 ; in sparseinv() 124 zkj -= Ux [up] * z [i] ; in sparseinv() 127 z [k] = zkj ; in sparseinv()
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/dports/math/suitesparse-slip_lu/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/ |
H A D | sparseinv.c | 53 double ljk, zkj ; in sparseinv() local 116 zkj = 0 ; in sparseinv() 124 zkj -= Ux [up] * z [i] ; in sparseinv() 127 z [k] = zkj ; in sparseinv()
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/dports/math/suitesparse-spqr/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/ |
H A D | sparseinv.c | 53 double ljk, zkj ; in sparseinv() local 116 zkj = 0 ; in sparseinv() 124 zkj -= Ux [up] * z [i] ; in sparseinv() 127 z [k] = zkj ; in sparseinv()
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/dports/math/suitesparse-umfpack/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/ |
H A D | sparseinv.c | 53 double ljk, zkj ; in sparseinv() local 116 zkj = 0 ; in sparseinv() 124 zkj -= Ux [up] * z [i] ; in sparseinv() 127 z [k] = zkj ; in sparseinv()
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/dports/math/suitesparse-rbio/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/ |
H A D | sparseinv.c | 53 double ljk, zkj ; in sparseinv() local 116 zkj = 0 ; in sparseinv() 124 zkj -= Ux [up] * z [i] ; in sparseinv() 127 z [k] = zkj ; in sparseinv()
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/dports/math/suitesparse-btf/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/ |
H A D | sparseinv.c | 53 double ljk, zkj ; in sparseinv() local 116 zkj = 0 ; in sparseinv() 124 zkj -= Ux [up] * z [i] ; in sparseinv() 127 z [k] = zkj ; in sparseinv()
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/dports/math/suitesparse-csparse/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/ |
H A D | sparseinv.c | 53 double ljk, zkj ; in sparseinv() local 116 zkj = 0 ; in sparseinv() 124 zkj -= Ux [up] * z [i] ; in sparseinv() 127 z [k] = zkj ; in sparseinv()
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/dports/math/suitesparse-cxsparse/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/ |
H A D | sparseinv.c | 53 double ljk, zkj ; in sparseinv() local 116 zkj = 0 ; in sparseinv() 124 zkj -= Ux [up] * z [i] ; in sparseinv() 127 z [k] = zkj ; in sparseinv()
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/mm/ |
H A D | mm_bond.F | 1289 dt3 = cik*zkj-cii*zij 1292 dt9 = cik*zij-ckk*zkj 1518 dx = yij*zkj - zij*ykj 1519 dy = zij*xkj - xij*zkj 1521 gx = zkj*ykl - ykj*zkl 1522 gy = xkj*zkl - zkj*xkl 1543 & zkj*(dy*gx-dx*gy) 1661 dx = yij*zkj - zij*ykj 1662 dy = zij*xkj - xij*zkj 1664 gx = zkj*ykl - ykj*zkl [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/mm/ |
H A D | mm_bond.F | 1289 dt3 = cik*zkj-cii*zij 1292 dt9 = cik*zij-ckk*zkj 1518 dx = yij*zkj - zij*ykj 1519 dy = zij*xkj - xij*zkj 1521 gx = zkj*ykl - ykj*zkl 1522 gy = xkj*zkl - zkj*xkl 1543 & zkj*(dy*gx-dx*gy) 1661 dx = yij*zkj - zij*ykj 1662 dy = zij*xkj - xij*zkj 1664 gx = zkj*ykl - ykj*zkl [all …]
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/dports/math/optpp/optpp-2.4/newmat11/ |
H A D | evalue.C | 80 Real* zik = z + i*n; Real* zkj = z + j; in tred2() local 83 { g += *zik++ * (*zkj); if (!(--k)) break; zkj += n; } in tred2() 84 Real* zki = z + i; zkj = z + j; in tred2() 87 { *zkj -= g * (*zki); if (!(--k)) break; zkj += n; zki += n; } in tred2()
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/dports/math/newmat/newmat-1.1_1/ |
H A D | evalue.cpp | 84 Real* zik = z + i*n; Real* zkj = z + j; in tred2() local 87 { g += *zik++ * (*zkj); if (!(--k)) break; zkj += n; } in tred2() 88 Real* zki = z + i; zkj = z + j; in tred2() 91 { *zkj -= g * (*zki); if (!(--k)) break; zkj += n; zki += n; } in tred2()
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/dports/graphics/ossim/ossim-OrchidIsland-2.11.1/src/matrix/ |
H A D | evalue.cpp | 80 Real* zik = z + i*n; Real* zkj = z + j; in tred2() local 83 { g += *zik++ * (*zkj); if (!(--k)) break; zkj += n; } in tred2() 84 Real* zki = z + i; zkj = z + j; in tred2() 87 { *zkj -= g * (*zki); if (!(--k)) break; zkj += n; zki += n; } in tred2()
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/dports/science/gabedit/GabeditSrc251_300720/src/Geometry/ |
H A D | RotFragments.c | 74 gdouble xkj, ykj, zkj; in TorsionToAtoms() local 86 zkj = C3[ 2 ] - C2[ 2 ]; in TorsionToAtoms() 91 dx = yij * zkj - zij * ykj; in TorsionToAtoms() 92 dy = zij * xkj - xij * zkj; in TorsionToAtoms() 94 gx = zkj * ykl - ykj * zkl; in TorsionToAtoms() 95 gy = xkj * zkl - zkj * xkl; in TorsionToAtoms() 115 d = xkj*(dz*gy-dy*gz) + ykj*(dx*gz-dz*gx) + zkj*(dy*gx-dx*gy); in TorsionToAtoms()
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