/dports/science/nwchem-data/nwchem-7.0.2-release/src/hessian/analytic/dft/ |
H A D | xc_init_index.F | 67 call util_ga_mat_reduce(nbf_ao, natoms, int_mb(k_cetobfr), g_dens,
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/hessian/analytic/dft/ |
H A D | xc_init_index.F | 67 call util_ga_mat_reduce(nbf_ao, natoms, int_mb(k_cetobfr), g_dens,
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/scf_dft/ |
H A D | dft_fockbld.F | 326 call util_ga_mat_reduce(nbf_ao, natoms, cetobfr, g_dens, 391 call util_ga_mat_reduce(nbf_ao, natoms, cetobfr,
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/scf_dft/ |
H A D | dft_fockbld.F | 326 call util_ga_mat_reduce(nbf_ao, natoms, cetobfr, g_dens, 391 call util_ga_mat_reduce(nbf_ao, natoms, cetobfr,
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/grid/ |
H A D | grid_quadv0.F | 436 call util_ga_mat_reduce(nbf_ao, nctrs, int_mb(icetobfr), 441 call util_ga_mat_reduce(nbf_ao,nctrs,int_mb(icetobfr), 448 call util_ga_mat_reduce(nbf_ao, nctrs, int_mb(icetobfr), g_dens, 541 call util_ga_mat_reduce(nbf_fde, ncenters_fde,
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/grid/ |
H A D | grid_quadv0.F | 436 call util_ga_mat_reduce(nbf_ao, nctrs, int_mb(icetobfr), 441 call util_ga_mat_reduce(nbf_ao,nctrs,int_mb(icetobfr), 448 call util_ga_mat_reduce(nbf_ao, nctrs, int_mb(icetobfr), g_dens, 541 call util_ga_mat_reduce(nbf_fde, ncenters_fde,
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/util/ |
H A D | dft_utilmap.F | 41 subroutine util_ga_mat_reduce(n, nr, map, g_a, n_a, r, op, subroutine
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/util/ |
H A D | dft_utilmap.F | 41 subroutine util_ga_mat_reduce(n, nr, map, g_a, n_a, r, op, subroutine
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/dplot/ |
H A D | create_contour.F | 169 call util_ga_mat_reduce(nbf, natom, int_mb(k_cetobfr), g_dns,
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/dplot/ |
H A D | create_contour.F | 169 call util_ga_mat_reduce(nbf, natom, int_mb(k_cetobfr), g_dns,
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/so_dft/ |
H A D | dft_gradients_so.F | 331 call util_ga_mat_reduce(nbf_ao, nat, int_mb(icetobfr),
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H A D | dft_scf_so.F | 1362 call util_ga_mat_reduce(nbf_ao, natoms, int_mb(icetobfr), g_dens, 1392 call util_ga_mat_reduce(nbf_ao, natoms, int_mb(icetobfr),
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/so_dft/ |
H A D | dft_gradients_so.F | 331 call util_ga_mat_reduce(nbf_ao, nat, int_mb(icetobfr),
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H A D | dft_scf_so.F | 1362 call util_ga_mat_reduce(nbf_ao, natoms, int_mb(icetobfr), g_dens, 1392 call util_ga_mat_reduce(nbf_ao, natoms, int_mb(icetobfr),
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/dftgrad/ |
H A D | dft_gradients.F | 380 call util_ga_mat_reduce(nbf_ao, nat, int_mb(icetobfr),
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/dftgrad/ |
H A D | dft_gradients.F | 380 call util_ga_mat_reduce(nbf_ao, nat, int_mb(icetobfr),
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