/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/tools/matlab/solver/MATLAB_PB_SOLVER_7/ |
H A D | energy.m | 17 jlo=floor(jfloat); 22 (ilo>=1) && (jlo>=1) && (klo>=1)) 24 dy = jfloat - double(jlo); 30 + dx*(1.0-dy)*dz*(MATLAB_pot(ihi,jlo,khi))... 32 + dx*(1.0-dy)*(1.0-dz)*(MATLAB_pot(ihi,jlo,klo))... 34 + (1.0-dx)*(1.0-dy)*dz*(MATLAB_pot(ilo,jlo,khi))... 36 + (1.0-dx)*(1.0-dy)*(1.0-dz)*(MATLAB_pot(ilo,jlo,klo));
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/ |
H A D | print_aoints.F | 12 $ nsh, ilo, ihi, jlo, jhi, klo, khi, llo, lhi 39 if (.not. bas_cn2bfr(basis, jsh, jlo, jhi)) 54 call print_ao_buf(ilo, ihi, jlo, jhi, klo, khi, 71 subroutine print_ao_buf(ilo, ihi, jlo, jhi, klo, khi, argument 74 integer ilo, ihi, jlo, jhi, klo, khi, llo, lhi 75 double precision g(llo:lhi,klo:khi,jlo:jhi,ilo:ihi) 80 do j = jlo, jhi
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H A D | fock_2e_file.F | 37 integer ilo, jlo, klo, llo 66 10 if (int2e_get_bf_range(ilo,ihi,jlo,jhi,klo,khi,llo,lhi)) then 70 call fock_init_cmul(ihi-ilo+1,jhi-jlo+1,lhi-llo+1) 72 $ ilo, jlo, klo, llo, 82 $ ilo, jlo, klo, llo, 84 $ ilo, jlo, klo, llo, 100 $ llo, lhi, jlo, jhi, kfac, flj, tmp) 142 integer ilo, jlo, klo, llo 166 10 if (int2e_get_bf_range(ilo,ihi,jlo,jhi,klo,khi,llo,lhi)) then 167 if (ilo.ne.1 .or. jlo.ne.1 .or. klo.ne.1 .or. llo.ne.1)
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/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/tools/matlab/solver/MATLAB_PB_SOLVER_6/ |
H A D | energy.m | 17 jlo=floor(jfloat); 22 (ilo>=1) && (jlo>=1) && (klo>=1)) 24 dy = jfloat - double(jlo); 30 + dx*(1.0-dy)*dz*(MATLAB_pot(ihi,jlo,khi))... 32 + dx*(1.0-dy)*(1.0-dz)*(MATLAB_pot(ihi,jlo,klo))... 34 + (1.0-dx)*(1.0-dy)*dz*(MATLAB_pot(ilo,jlo,khi))... 36 + (1.0-dx)*(1.0-dy)*(1.0-dz)*(MATLAB_pot(ilo,jlo,klo));
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ddscf/ |
H A D | print_aoints.F | 12 $ nsh, ilo, ihi, jlo, jhi, klo, khi, llo, lhi 39 if (.not. bas_cn2bfr(basis, jsh, jlo, jhi)) 54 call print_ao_buf(ilo, ihi, jlo, jhi, klo, khi, 71 subroutine print_ao_buf(ilo, ihi, jlo, jhi, klo, khi, argument 74 integer ilo, ihi, jlo, jhi, klo, khi, llo, lhi 75 double precision g(llo:lhi,klo:khi,jlo:jhi,ilo:ihi) 80 do j = jlo, jhi
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H A D | fock_2e_file.F | 37 integer ilo, jlo, klo, llo 66 10 if (int2e_get_bf_range(ilo,ihi,jlo,jhi,klo,khi,llo,lhi)) then 70 call fock_init_cmul(ihi-ilo+1,jhi-jlo+1,lhi-llo+1) 72 $ ilo, jlo, klo, llo, 82 $ ilo, jlo, klo, llo, 84 $ ilo, jlo, klo, llo, 100 $ llo, lhi, jlo, jhi, kfac, flj, tmp) 142 integer ilo, jlo, klo, llo 166 10 if (int2e_get_bf_range(ilo,ihi,jlo,jhi,klo,khi,llo,lhi)) then 167 if (ilo.ne.1 .or. jlo.ne.1 .or. klo.ne.1 .or. llo.ne.1)
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/fast/ |
H A D | potential.F | 19 integer ilo, ihi, jlo, jhi, idim, jdim 44 if (.not. bas_cn2bfr(basis, jshell, jlo, jhi)) 46 jdim = jhi - jlo + 1 57 call ga_get(g_dens,ilo,ihi,jlo,jhi,dbl_mb(k_scr),idim) 96 integer ilo, ihi, jlo, jhi, idim, jdim 120 if (.not. bas_cn2bfr(basis, jshell, jlo, jhi)) 122 jdim = jhi - jlo + 1 130 call ga_get(g_dens,ilo,ihi,jlo,jhi,dbl_mb(k_scr),idim)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ddscf/fast/ |
H A D | potential.F | 19 integer ilo, ihi, jlo, jhi, idim, jdim 46 if (.not. bas_cn2bfr(basis, jshell, jlo, jhi)) 48 jdim = jhi - jlo + 1 59 call ga_get(g_dens,ilo,ihi,jlo,jhi,dbl_mb(k_scr),idim) 98 integer ilo, ihi, jlo, jhi, idim, jdim 122 if (.not. bas_cn2bfr(basis, jshell, jlo, jhi)) 124 jdim = jhi - jlo + 1 132 call ga_get(g_dens,ilo,ihi,jlo,jhi,dbl_mb(k_scr),idim)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/scf_dft/ |
H A D | diis_bld12.F | 33 integer ilo,ihi,jlo,jhi,numi,numj,l_s,k_s,icount 46 . ga_nodeid(), ilo, ihi, jlo, jhi) 49 numj = jhi-jlo+1 53 call ga_get(iga_stmp,ilo,ihi,jlo,jhi, 56 do i=jlo,jhi 70 call ga_put(iga_stmp,ilo,ihi,jlo,jhi,
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/scf_dft/ |
H A D | diis_bld12.F | 33 integer ilo,ihi,jlo,jhi,numi,numj,l_s,k_s,icount 46 . ga_nodeid(), ilo, ihi, jlo, jhi) 49 numj = jhi-jlo+1 53 call ga_get(iga_stmp,ilo,ihi,jlo,jhi, 56 do i=jlo,jhi 70 call ga_put(iga_stmp,ilo,ihi,jlo,jhi,
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/dports/math/suitesparse-klu/SuiteSparse-5.10.1/GraphBLAS/Test/ |
H A D | test54.m | 16 for jlo = 1:n 17 for jhi = jlo:m 19 C = A (ilo:ihi,jlo:jhi) ; 22 J1 = uint64 (jlo:jhi) - 1 ; 28 J2.begin = jlo-1 ; 81 for jlo = 1:n 82 for jhi = jlo:n 85 sn = jhi-jlo+1 ; 89 C0 (ilo:ihi,jlo:jhi) = S ; 92 J1 = uint64 (jlo:jhi) - 1 ; [all …]
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/dports/math/suitesparse-ldl/SuiteSparse-5.10.1/GraphBLAS/Test/ |
H A D | test54.m | 16 for jlo = 1:n 17 for jhi = jlo:m 19 C = A (ilo:ihi,jlo:jhi) ; 22 J1 = uint64 (jlo:jhi) - 1 ; 28 J2.begin = jlo-1 ; 81 for jlo = 1:n 82 for jhi = jlo:n 85 sn = jhi-jlo+1 ; 89 C0 (ilo:ihi,jlo:jhi) = S ; 92 J1 = uint64 (jlo:jhi) - 1 ; [all …]
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/dports/math/suitesparse-graphblas/SuiteSparse-5.10.1/GraphBLAS/Test/ |
H A D | test54.m | 16 for jlo = 1:n 17 for jhi = jlo:m 19 C = A (ilo:ihi,jlo:jhi) ; 22 J1 = uint64 (jlo:jhi) - 1 ; 28 J2.begin = jlo-1 ; 81 for jlo = 1:n 82 for jhi = jlo:n 85 sn = jhi-jlo+1 ; 89 C0 (ilo:ihi,jlo:jhi) = S ; 92 J1 = uint64 (jlo:jhi) - 1 ; [all …]
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/dports/math/suitesparse-rbio/SuiteSparse-5.10.1/GraphBLAS/Test/ |
H A D | test54.m | 16 for jlo = 1:n 17 for jhi = jlo:m 19 C = A (ilo:ihi,jlo:jhi) ; 22 J1 = uint64 (jlo:jhi) - 1 ; 28 J2.begin = jlo-1 ; 81 for jlo = 1:n 82 for jhi = jlo:n 85 sn = jhi-jlo+1 ; 89 C0 (ilo:ihi,jlo:jhi) = S ; 92 J1 = uint64 (jlo:jhi) - 1 ; [all …]
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/dports/math/suitesparse-mongoose/SuiteSparse-5.10.1/GraphBLAS/Test/ |
H A D | test54.m | 16 for jlo = 1:n 17 for jhi = jlo:m 19 C = A (ilo:ihi,jlo:jhi) ; 22 J1 = uint64 (jlo:jhi) - 1 ; 28 J2.begin = jlo-1 ; 81 for jlo = 1:n 82 for jhi = jlo:n 85 sn = jhi-jlo+1 ; 89 C0 (ilo:ihi,jlo:jhi) = S ; 92 J1 = uint64 (jlo:jhi) - 1 ; [all …]
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/dports/math/suitesparse-cholmod/SuiteSparse-5.10.1/GraphBLAS/Test/ |
H A D | test54.m | 16 for jlo = 1:n 17 for jhi = jlo:m 19 C = A (ilo:ihi,jlo:jhi) ; 22 J1 = uint64 (jlo:jhi) - 1 ; 28 J2.begin = jlo-1 ; 81 for jlo = 1:n 82 for jhi = jlo:n 85 sn = jhi-jlo+1 ; 89 C0 (ilo:ihi,jlo:jhi) = S ; 92 J1 = uint64 (jlo:jhi) - 1 ; [all …]
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/dports/math/suitesparse-colamd/SuiteSparse-5.10.1/GraphBLAS/Test/ |
H A D | test54.m | 16 for jlo = 1:n 17 for jhi = jlo:m 19 C = A (ilo:ihi,jlo:jhi) ; 22 J1 = uint64 (jlo:jhi) - 1 ; 28 J2.begin = jlo-1 ; 81 for jlo = 1:n 82 for jhi = jlo:n 85 sn = jhi-jlo+1 ; 89 C0 (ilo:ihi,jlo:jhi) = S ; 92 J1 = uint64 (jlo:jhi) - 1 ; [all …]
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/dports/math/suitesparse-ccolamd/SuiteSparse-5.10.1/GraphBLAS/Test/ |
H A D | test54.m | 16 for jlo = 1:n 17 for jhi = jlo:m 19 C = A (ilo:ihi,jlo:jhi) ; 22 J1 = uint64 (jlo:jhi) - 1 ; 28 J2.begin = jlo-1 ; 81 for jlo = 1:n 82 for jhi = jlo:n 85 sn = jhi-jlo+1 ; 89 C0 (ilo:ihi,jlo:jhi) = S ; 92 J1 = uint64 (jlo:jhi) - 1 ; [all …]
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/dports/math/suitesparse-slip_lu/SuiteSparse-5.10.1/GraphBLAS/Test/ |
H A D | test54.m | 16 for jlo = 1:n 17 for jhi = jlo:m 19 C = A (ilo:ihi,jlo:jhi) ; 22 J1 = uint64 (jlo:jhi) - 1 ; 28 J2.begin = jlo-1 ; 81 for jlo = 1:n 82 for jhi = jlo:n 85 sn = jhi-jlo+1 ; 89 C0 (ilo:ihi,jlo:jhi) = S ; 92 J1 = uint64 (jlo:jhi) - 1 ; [all …]
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/dports/math/suitesparse-btf/SuiteSparse-5.10.1/GraphBLAS/Test/ |
H A D | test54.m | 16 for jlo = 1:n 17 for jhi = jlo:m 19 C = A (ilo:ihi,jlo:jhi) ; 22 J1 = uint64 (jlo:jhi) - 1 ; 28 J2.begin = jlo-1 ; 81 for jlo = 1:n 82 for jhi = jlo:n 85 sn = jhi-jlo+1 ; 89 C0 (ilo:ihi,jlo:jhi) = S ; 92 J1 = uint64 (jlo:jhi) - 1 ; [all …]
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/dports/math/suitesparse-amd/SuiteSparse-5.10.1/GraphBLAS/Test/ |
H A D | test54.m | 16 for jlo = 1:n 17 for jhi = jlo:m 19 C = A (ilo:ihi,jlo:jhi) ; 22 J1 = uint64 (jlo:jhi) - 1 ; 28 J2.begin = jlo-1 ; 81 for jlo = 1:n 82 for jhi = jlo:n 85 sn = jhi-jlo+1 ; 89 C0 (ilo:ihi,jlo:jhi) = S ; 92 J1 = uint64 (jlo:jhi) - 1 ; [all …]
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/dports/math/suitesparse-camd/SuiteSparse-5.10.1/GraphBLAS/Test/ |
H A D | test54.m | 16 for jlo = 1:n 17 for jhi = jlo:m 19 C = A (ilo:ihi,jlo:jhi) ; 22 J1 = uint64 (jlo:jhi) - 1 ; 28 J2.begin = jlo-1 ; 81 for jlo = 1:n 82 for jhi = jlo:n 85 sn = jhi-jlo+1 ; 89 C0 (ilo:ihi,jlo:jhi) = S ; 92 J1 = uint64 (jlo:jhi) - 1 ; [all …]
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/dports/math/suitesparse-spqr/SuiteSparse-5.10.1/GraphBLAS/Test/ |
H A D | test54.m | 16 for jlo = 1:n 17 for jhi = jlo:m 19 C = A (ilo:ihi,jlo:jhi) ; 22 J1 = uint64 (jlo:jhi) - 1 ; 28 J2.begin = jlo-1 ; 81 for jlo = 1:n 82 for jhi = jlo:n 85 sn = jhi-jlo+1 ; 89 C0 (ilo:ihi,jlo:jhi) = S ; 92 J1 = uint64 (jlo:jhi) - 1 ; [all …]
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/dports/math/suitesparse-umfpack/SuiteSparse-5.10.1/GraphBLAS/Test/ |
H A D | test54.m | 16 for jlo = 1:n 17 for jhi = jlo:m 19 C = A (ilo:ihi,jlo:jhi) ; 22 J1 = uint64 (jlo:jhi) - 1 ; 28 J2.begin = jlo-1 ; 81 for jlo = 1:n 82 for jhi = jlo:n 85 sn = jhi-jlo+1 ; 89 C0 (ilo:ihi,jlo:jhi) = S ; 92 J1 = uint64 (jlo:jhi) - 1 ; [all …]
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/dports/math/suitesparse-config/SuiteSparse-5.10.1/GraphBLAS/Test/ |
H A D | test54.m | 16 for jlo = 1:n 17 for jhi = jlo:m 19 C = A (ilo:ihi,jlo:jhi) ; 22 J1 = uint64 (jlo:jhi) - 1 ; 28 J2.begin = jlo-1 ; 81 for jlo = 1:n 82 for jhi = jlo:n 85 sn = jhi-jlo+1 ; 89 C0 (ilo:ihi,jlo:jhi) = S ; 92 J1 = uint64 (jlo:jhi) - 1 ; [all …]
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