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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/hfx_tools/contraction/templates/
H A Dpart12 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
H A Dpart42 imax=nsoa*nsob*nsoc
H A Dpart23 imax=nsoa*ncoc*ncod
H A Dpart33 imax=nsoa*nsob*ncod
H A Dpart57 s_offset_a1 = s_offset_a1 + nsoa
H A Dpart4_default5 DO i3=1,nsoa
/dports/science/cp2k-data/cp2k-7.1.0/tools/hfx_tools/contraction/templates/
H A Dpart12 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
H A Dpart42 imax=nsoa*nsob*nsoc
H A Dpart33 imax=nsoa*nsob*ncod
H A Dpart23 imax=nsoa*ncoc*ncod
H A Dpart57 s_offset_a1 = s_offset_a1 + nsoa
H A Dpart4_default5 DO i3=1,nsoa
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/hfx_tools/contraction/
H A Dcreate198 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[$a]}
/dports/science/cp2k-data/cp2k-7.1.0/tools/hfx_tools/contraction/
H A Dcreate198 nsoa=${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]}
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dhfx_libint_interface.F404 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 …]
H A Dxray_diffraction.F513 nsoa, nsob, nsotot, nspin local
671 nsoa = nsoset(lmax(iset))
679 iso1_pgf = iso1_set + (ipgf - 1)*nsoa
H A Dhfx_derivatives.F1880 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
H A Dhfx_energy_potential.F2303 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
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dhfx_libint_interface.F404 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 …]
H A Dxray_diffraction.F514 nsoa, nsob, nsotot, nspin local
672 nsoa = nsoset(lmax(iset))
680 iso1_pgf = iso1_set + (ipgf - 1)*nsoa
H A Dhfx_derivatives.F1894 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
H A Dhfx_energy_potential.F2303 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
/dports/dns/mydns-ng/mydns-1.2.8.31/src/mydns/
H A Dnotify.c658 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()
/dports/science/cp2k-data/cp2k-7.1.0/src/hfxbase/
H A Dhfx_contraction_methods.F86 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 …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/hfxbase/
H A Dhfx_contraction_methods.F86 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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