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/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/tools/matlab/solver/MATLAB_PB_SOLVER_7/
H A Denergy.m17 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));
/dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/
H A Dprint_aoints.F12 $ 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
H A Dfock_2e_file.F37 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)
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/tools/matlab/solver/MATLAB_PB_SOLVER_6/
H A Denergy.m17 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));
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ddscf/
H A Dprint_aoints.F12 $ 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
H A Dfock_2e_file.F37 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)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/fast/
H A Dpotential.F19 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)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ddscf/fast/
H A Dpotential.F19 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)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/scf_dft/
H A Ddiis_bld12.F33 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,
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/scf_dft/
H A Ddiis_bld12.F33 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,
/dports/math/suitesparse-klu/SuiteSparse-5.10.1/GraphBLAS/Test/
H A Dtest54.m16 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 …]
/dports/math/suitesparse-ldl/SuiteSparse-5.10.1/GraphBLAS/Test/
H A Dtest54.m16 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 …]
/dports/math/suitesparse-graphblas/SuiteSparse-5.10.1/GraphBLAS/Test/
H A Dtest54.m16 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 …]
/dports/math/suitesparse-rbio/SuiteSparse-5.10.1/GraphBLAS/Test/
H A Dtest54.m16 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 …]
/dports/math/suitesparse-mongoose/SuiteSparse-5.10.1/GraphBLAS/Test/
H A Dtest54.m16 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 …]
/dports/math/suitesparse-cholmod/SuiteSparse-5.10.1/GraphBLAS/Test/
H A Dtest54.m16 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 …]
/dports/math/suitesparse-colamd/SuiteSparse-5.10.1/GraphBLAS/Test/
H A Dtest54.m16 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 …]
/dports/math/suitesparse-ccolamd/SuiteSparse-5.10.1/GraphBLAS/Test/
H A Dtest54.m16 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 …]
/dports/math/suitesparse-slip_lu/SuiteSparse-5.10.1/GraphBLAS/Test/
H A Dtest54.m16 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 …]
/dports/math/suitesparse-btf/SuiteSparse-5.10.1/GraphBLAS/Test/
H A Dtest54.m16 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 …]
/dports/math/suitesparse-amd/SuiteSparse-5.10.1/GraphBLAS/Test/
H A Dtest54.m16 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 …]
/dports/math/suitesparse-camd/SuiteSparse-5.10.1/GraphBLAS/Test/
H A Dtest54.m16 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 …]
/dports/math/suitesparse-spqr/SuiteSparse-5.10.1/GraphBLAS/Test/
H A Dtest54.m16 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 …]
/dports/math/suitesparse-umfpack/SuiteSparse-5.10.1/GraphBLAS/Test/
H A Dtest54.m16 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 …]
/dports/math/suitesparse-config/SuiteSparse-5.10.1/GraphBLAS/Test/
H A Dtest54.m16 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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