/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/hfx_tools/contraction/templates/ |
H A D | part1 | 2 nsoa, nsob, nsoc, nsod, & 10 nsoa, nsob, nsoc, nsod 13 REAL(dp), DIMENSION(ncoa,nsoa*nl_a), INTENT(IN) :: sphi_a 18 REAL(dp), DIMENSION(nsoa*nl_a, nsob*nl_b,nsoc*nl_c,nsod*nl_d) :: primitives 35 jmax=nsoa
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H A D | part4 | 2 imax=nsoa*nsob*nsoc
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H A D | part2 | 3 imax=nsoa*ncoc*ncod
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H A D | part3 | 3 imax=nsoa*nsob*ncod
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H A D | part5 | 7 s_offset_a1 = s_offset_a1 + nsoa
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H A D | part4_default | 5 DO i3=1,nsoa
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/dports/science/cp2k-data/cp2k-7.1.0/tools/hfx_tools/contraction/templates/ |
H A D | part1 | 2 nsoa, nsob, nsoc, nsod, & 10 nsoa, nsob, nsoc, nsod 13 REAL(dp), DIMENSION(ncoa,nsoa*nl_a), INTENT(IN) :: sphi_a 18 REAL(dp), DIMENSION(nsoa*nl_a, nsob*nl_b,nsoc*nl_c,nsod*nl_d) :: primitives 35 jmax=nsoa
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H A D | part4 | 2 imax=nsoa*nsob*nsoc
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H A D | part3 | 3 imax=nsoa*nsob*ncod
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H A D | part2 | 3 imax=nsoa*ncoc*ncod
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H A D | part5 | 7 s_offset_a1 = s_offset_a1 + nsoa
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H A D | part4_default | 5 DO i3=1,nsoa
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/hfx_tools/contraction/ |
H A D | create | 198 nsoa=${nso[$a]} 228 sed "s/nso(n_a)/$nsoa/g" tmp1 > tmp 260 nsoa=${nso[$a]} 274 nsoa=${nso[$a]} 288 nsoa=${nso[$a]} 302 nsoa=${nso[$a]}
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/dports/science/cp2k-data/cp2k-7.1.0/tools/hfx_tools/contraction/ |
H A D | create | 198 nsoa=${nso[$a]} 228 sed "s/nso(n_a)/$nsoa/g" tmp1 > tmp 260 nsoa=${nso[$a]} 274 nsoa=${nso[$a]} 288 nsoa=${nso[$a]} 302 nsoa=${nso[$a]}
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | hfx_libint_interface.F | 404 REAL(dp), DIMENSION(ncoa, nsoa*nl_a) :: sphi_a 411 REAL(dp), DIMENSION(nsoa*nl_a, nsob*nl_b, nsoc*& 416 REAL(dp), DIMENSION(nsoa*nl_a, nsob*nl_b, nsoc*& 1231 primitives(s_offset_a + 1:s_offset_a + nsoa*nl_a, & 1235 primitives(s_offset_a + 1:s_offset_a + nsoa*nl_a, & 1255 primitives_virial(s_offset_a + 1:s_offset_a + nsoa*nl_a, & 1475 REAL(dp), DIMENSION(ncoa, nsoa*nl_a), INTENT(IN) :: sphi_a 1482 REAL(dp), DIMENSION(nsoa*nl_a, nsob*nl_b, nsoc*& 1897 CALL contract(ncoa, ncob, ncoc, ncod, nsoa, nsob, nsoc, nsod, & 1906 primitives(s_offset_a + 1:s_offset_a + nsoa*nl_a, & [all …]
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H A D | xray_diffraction.F | 513 nsoa, nsob, nsotot, nspin local 671 nsoa = nsoset(lmax(iset)) 679 iso1_pgf = iso1_set + (ipgf - 1)*nsoa
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H A D | hfx_derivatives.F | 1880 ncoc, ncod, nelements_ij, nelements_kl, nproducts, nsgfla, nsgflb, nsgflc, nsgfld, nsoa, & local 1924 nsoa = nso(la) 1952 … nsgfla, nsgflb, nsgflc, nsgfld, nsoa, nsob, nsoc, nsod, & 1969 s_offset_a = s_offset_a + nsoa*nsgfla
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H A D | hfx_energy_potential.F | 2303 ncoc, ncod, nelements_ij, nelements_kl, nproducts, nsgfla, nsgflb, nsgflc, nsgfld, nsoa, & local 2339 nsoa = nso(la) 2367 nsgfla, nsgflb, nsgflc, nsgfld, nsoa, nsob, nsoc, nsod, & 2381 s_offset_a = s_offset_a + nsoa*nsgfla
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | hfx_libint_interface.F | 404 REAL(dp), DIMENSION(ncoa, nsoa*nl_a) :: sphi_a 411 REAL(dp), DIMENSION(nsoa*nl_a, nsob*nl_b, nsoc*& 416 REAL(dp), DIMENSION(nsoa*nl_a, nsob*nl_b, nsoc*& 1231 primitives(s_offset_a + 1:s_offset_a + nsoa*nl_a, & 1235 primitives(s_offset_a + 1:s_offset_a + nsoa*nl_a, & 1255 primitives_virial(s_offset_a + 1:s_offset_a + nsoa*nl_a, & 1475 REAL(dp), DIMENSION(ncoa, nsoa*nl_a), INTENT(IN) :: sphi_a 1482 REAL(dp), DIMENSION(nsoa*nl_a, nsob*nl_b, nsoc*& 1897 CALL contract(ncoa, ncob, ncoc, ncod, nsoa, nsob, nsoc, nsod, & 1906 primitives(s_offset_a + 1:s_offset_a + nsoa*nl_a, & [all …]
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H A D | xray_diffraction.F | 514 nsoa, nsob, nsotot, nspin local 672 nsoa = nsoset(lmax(iset)) 680 iso1_pgf = iso1_set + (ipgf - 1)*nsoa
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H A D | hfx_derivatives.F | 1894 ncoc, ncod, nelements_ij, nelements_kl, nproducts, nsgfla, nsgflb, nsgflc, nsgfld, nsoa, & local 1938 nsoa = nso(la) 1966 … nsgfla, nsgflb, nsgflc, nsgfld, nsoa, nsob, nsoc, nsod, & 1983 s_offset_a = s_offset_a + nsoa*nsgfla
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H A D | hfx_energy_potential.F | 2303 ncoc, ncod, nelements_ij, nelements_kl, nproducts, nsgfla, nsgflb, nsgflc, nsgfld, nsoa, & local 2339 nsoa = nso(la) 2367 nsgfla, nsgflb, nsgflc, nsgfld, nsoa, nsob, nsoc, nsod, & 2381 s_offset_a = s_offset_a + nsoa*nsgfla
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/dports/dns/mydns-ng/mydns-1.2.8.31/src/mydns/ |
H A D | notify.c | 658 MYDNS_SOA *nsoa = NULL; in name_servers2ip() local 666 nsoa = find_soa2(t, name_server, &label); in name_servers2ip() 668 if (nsoa) { in name_servers2ip() 676 rr = find_rr(t, nsoa, DNS_QTYPE_A, label); in name_servers2ip() 722 rr = find_rr(t, nsoa, DNS_QTYPE_AAAA, label); in name_servers2ip() 768 mydns_soa_free(nsoa); in name_servers2ip()
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/dports/science/cp2k-data/cp2k-7.1.0/src/hfxbase/ |
H A D | hfx_contraction_methods.F | 86 MARK_USED(nsoa) 103428 jmax = nsoa 103512 imax = nsoa*ncoc*ncod 103597 imax = nsoa*nsob*ncod 103684 imax = nsoa*nsob*nsoc 103692 DO i3 = 1, nsoa 103703 DO i3 = 1, nsoa 103720 DO i3 = 1, nsoa 103752 DO i3 = 1, nsoa 103808 DO i3 = 1, nsoa [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/hfxbase/ |
H A D | hfx_contraction_methods.F | 86 MARK_USED(nsoa) 103428 jmax = nsoa 103512 imax = nsoa*ncoc*ncod 103597 imax = nsoa*nsob*ncod 103684 imax = nsoa*nsob*nsoc 103692 DO i3 = 1, nsoa 103703 DO i3 = 1, nsoa 103720 DO i3 = 1, nsoa 103752 DO i3 = 1, nsoa 103808 DO i3 = 1, nsoa [all …]
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