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/dports/science/gabedit/GabeditSrc251_300720/src/SemiEmpirical/
H A DAtomSE.c72 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()
/dports/science/gabedit/GabeditSrc251_300720/src/MolecularMechanics/
H A DAtom.c72 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()
/dports/math/suitesparse-klu/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/
H A Dsparseinv.c53 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()
/dports/math/suitesparse-config/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/
H A Dsparseinv.c53 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()
/dports/math/suitesparse-amd/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/
H A Dsparseinv.c53 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()
/dports/math/suitesparse-mongoose/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/
H A Dsparseinv.c53 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()
/dports/math/suitesparse-graphblas/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/
H A Dsparseinv.c53 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()
/dports/math/suitesparse-ldl/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/
H A Dsparseinv.c53 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()
/dports/math/suitesparse-cholmod/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/
H A Dsparseinv.c53 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()
/dports/math/suitesparse-colamd/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/
H A Dsparseinv.c53 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()
/dports/math/suitesparse-ccolamd/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/
H A Dsparseinv.c53 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()
/dports/math/suitesparse-camd/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/
H A Dsparseinv.c53 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()
/dports/math/suitesparse-slip_lu/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/
H A Dsparseinv.c53 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()
/dports/math/suitesparse-spqr/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/
H A Dsparseinv.c53 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()
/dports/math/suitesparse-umfpack/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/
H A Dsparseinv.c53 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()
/dports/math/suitesparse-rbio/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/
H A Dsparseinv.c53 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()
/dports/math/suitesparse-btf/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/
H A Dsparseinv.c53 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()
/dports/math/suitesparse-csparse/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/
H A Dsparseinv.c53 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()
/dports/math/suitesparse-cxsparse/SuiteSparse-5.10.1/MATLAB_Tools/sparseinv/
H A Dsparseinv.c53 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()
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/mm/
H A Dmm_bond.F1289 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/mm/
H A Dmm_bond.F1289 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 …]
/dports/math/optpp/optpp-2.4/newmat11/
H A Devalue.C80 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()
/dports/math/newmat/newmat-1.1_1/
H A Devalue.cpp84 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()
/dports/graphics/ossim/ossim-OrchidIsland-2.11.1/src/matrix/
H A Devalue.cpp80 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()
/dports/science/gabedit/GabeditSrc251_300720/src/Geometry/
H A DRotFragments.c74 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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