/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_harmonics_atom.F | 31 INTEGER :: max_s_harm, llmax, & component 165 SUBROUTINE create_harmonics_atom(harmonics, my_CG, na, llmax, maxs, max_s_harm, ll, wa, azi, pol) argument 169 INTEGER, INTENT(IN) :: na, llmax, maxs, max_s_harm, ll local 430 SUBROUTINE get_maxl_CG(harmonics, orb_basis, llmax, max_s_harm) argument 434 INTEGER, INTENT(IN) :: llmax, max_s_harm local 489 SUBROUTINE get_none0_cg_list4(cgc, lmin1, lmax1, lmin2, lmax2, max_s_harm, llmax, & argument 493 … INTEGER, INTENT(IN) :: lmin1, lmax1, lmin2, lmax2, max_s_harm, & local 550 SUBROUTINE get_none0_cg_list3(cgc, lmin1, lmax1, lmin2, lmax2, max_s_harm, llmax, & argument 554 … INTEGER, INTENT(IN) :: lmin1, lmax1, lmin2, lmax2, max_s_harm, & local
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H A D | hartree_local_methods.F | 116 max_s_harm, nchannels, nr, nspins local 221 lmax_0, m1, max_iso, max_iso_not0, max_s_harm, maxl, maxso, mepos, n1, nat, natom, & local 628 max_s_harm, llmax, cg_list, cg_n_list, & argument 634 INTEGER, INTENT(IN) :: max_iso_not0, max_s_harm, llmax local
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H A D | qs_rho_atom_methods.F | 121 lmax_expansion, lmin12, m1, m1s, m2, m2s, max_iso_not0, max_iso_not0_local, max_s_harm, & local 830 lmax_sphere, lp, m1, m2, max_s_harm, max_s_set, maxl, maxlgto, maxs, mm, mp, na, nat, & local
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H A D | qs_electric_field_gradient.F | 435 max_iso_not0_local, max_s_harm, maxl, maxso, mepos, n1s, n2s, nset, num_pe, size1, size2 local
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H A D | qs_vxc_atom.F | 996 ld, lmax12, lmax_expansion, lmin12, m1, m2, max_iso_not0, max_iso_not0_local, max_s_harm, & local 1170 max_iso_not0_local, max_s_harm, maxl, maxso, n1, n2, na, ngau1, ngau2, nngau1, nr, nset, & local 1432 max_iso_not0_local, max_s_harm, maxiso, maxl, maxso, mm1, mm2, n1, n2, na, ngau1, ngau2, & local
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H A D | qs_rho0_methods.F | 95 llmax, m1, m2, max_iso_not0_local, max_s_harm, maxl, maxso, n1, n2, nset local
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H A D | qs_kind_types.F | 428 gpw_type_forced, harmonics, max_iso_not0, max_s_harm, grid_atom, & argument 460 INTEGER, INTENT(OUT), OPTIONAL :: max_iso_not0, max_s_harm local 825 max_iso_not0, max_s_harm, n, & local
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H A D | qs_rho0_ggrid.F | 367 lshell, lx, ly, lz, m1, m2, max_iso_not0_local, max_s_harm, maxl, maxso, mepos, n1, n2, & local
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H A D | qs_linres_atom_current.F | 646 max_iso_not0, max_iso_not0_local, max_max_iso_not0, max_nso, max_s_harm, maxl, maxlgto, & local
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H A D | xas_tdp_atom.F | 240 lp, m1, m2, max_s_harm, max_s_set, maxl, maxlgto, maxs, mm, mp, na, nr, quadrature, stat local 3000 lmax12, lmin12, m1, m2, max_iso_not0, max_iso_not0_local, max_s_harm, maxl, maxso, n1, & local
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_harmonics_atom.F | 31 INTEGER :: max_s_harm, llmax, & component 166 SUBROUTINE create_harmonics_atom(harmonics, my_CG, na, llmax, maxs, max_s_harm, ll, wa, azi, pol) argument 170 INTEGER, INTENT(IN) :: na, llmax, maxs, max_s_harm, ll local 431 SUBROUTINE get_maxl_CG(harmonics, orb_basis, llmax, max_s_harm) argument 435 INTEGER, INTENT(IN) :: llmax, max_s_harm local 490 SUBROUTINE get_none0_cg_list4(cgc, lmin1, lmax1, lmin2, lmax2, max_s_harm, llmax, & argument 494 … INTEGER, INTENT(IN) :: lmin1, lmax1, lmin2, lmax2, max_s_harm, & local 551 SUBROUTINE get_none0_cg_list3(cgc, lmin1, lmax1, lmin2, lmax2, max_s_harm, llmax, & argument 555 … INTEGER, INTENT(IN) :: lmin1, lmax1, lmin2, lmax2, max_s_harm, & local
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H A D | hartree_local_methods.F | 116 max_s_harm, nchannels, nr, nspins local 224 lmax_0, m1, max_iso, max_iso_not0, max_s_harm, maxl, maxso, mepos, n1, nat, natom, & local 616 max_s_harm, llmax, cg_list, cg_n_list, & argument 622 INTEGER, INTENT(IN) :: max_iso_not0, max_s_harm, llmax local
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H A D | qs_rho_atom_methods.F | 118 lmax_expansion, lmin12, m1, m1s, m2, m2s, max_iso_not0, max_iso_not0_local, max_s_harm, & local 838 lmax_sphere, lp, m1, m2, max_s_harm, max_s_set, maxl, maxlgto, maxs, mm, mp, na, nat, & local
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H A D | qs_electric_field_gradient.F | 435 max_iso_not0_local, max_s_harm, maxl, maxso, mepos, n1s, n2s, nset, num_pe, size1, size2 local
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H A D | qs_vxc_atom.F | 1013 ld, lmax12, lmax_expansion, lmin12, m1, m2, max_iso_not0, max_iso_not0_local, max_s_harm, & local 1187 max_iso_not0_local, max_s_harm, maxl, maxso, n1, n2, na, ngau1, ngau2, nngau1, nr, nset, & local 1449 max_iso_not0_local, max_s_harm, maxiso, maxl, maxso, mm1, mm2, n1, n2, na, ngau1, ngau2, & local
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H A D | qs_rho0_methods.F | 93 llmax, m1, m2, max_iso_not0_local, max_s_harm, maxl, maxso, n1, n2, nset local
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H A D | qs_kind_types.F | 430 gpw_type_forced, harmonics, max_iso_not0, max_s_harm, grid_atom, & argument 462 INTEGER, INTENT(OUT), OPTIONAL :: max_iso_not0, max_s_harm local 829 max_iso_not0, max_s_harm, n, & local
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H A D | qs_rho0_ggrid.F | 353 lshell, lx, ly, lz, m1, m2, max_iso_not0_local, max_s_harm, maxl, maxso, mepos, n1, n2, & local
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H A D | qs_linres_atom_current.F | 646 max_iso_not0, max_iso_not0_local, max_max_iso_not0, max_nso, max_s_harm, maxl, maxlgto, & local
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H A D | xas_tdp_atom.F | 242 lp, m1, m2, max_s_harm, max_s_set, maxl, maxlgto, maxs, mm, mp, na, nr, quadrature, stat local 3061 lmin12, m1, m2, max_iso_not0, max_iso_not0_local, max_s_harm, maxl, maxso, n1, n2, na, & local
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