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Searched defs:max_s_harm (Results 1 – 20 of 20) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_harmonics_atom.F31 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
H A Dhartree_local_methods.F116 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
H A Dqs_rho_atom_methods.F121 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
H A Dqs_electric_field_gradient.F435 max_iso_not0_local, max_s_harm, maxl, maxso, mepos, n1s, n2s, nset, num_pe, size1, size2 local
H A Dqs_vxc_atom.F996 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
H A Dqs_rho0_methods.F95 llmax, m1, m2, max_iso_not0_local, max_s_harm, maxl, maxso, n1, n2, nset local
H A Dqs_kind_types.F428 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
H A Dqs_rho0_ggrid.F367 lshell, lx, ly, lz, m1, m2, max_iso_not0_local, max_s_harm, maxl, maxso, mepos, n1, n2, & local
H A Dqs_linres_atom_current.F646 max_iso_not0, max_iso_not0_local, max_max_iso_not0, max_nso, max_s_harm, maxl, maxlgto, & local
H A Dxas_tdp_atom.F240 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
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_harmonics_atom.F31 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
H A Dhartree_local_methods.F116 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
H A Dqs_rho_atom_methods.F118 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
H A Dqs_electric_field_gradient.F435 max_iso_not0_local, max_s_harm, maxl, maxso, mepos, n1s, n2s, nset, num_pe, size1, size2 local
H A Dqs_vxc_atom.F1013 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
H A Dqs_rho0_methods.F93 llmax, m1, m2, max_iso_not0_local, max_s_harm, maxl, maxso, n1, n2, nset local
H A Dqs_kind_types.F430 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
H A Dqs_rho0_ggrid.F353 lshell, lx, ly, lz, m1, m2, max_iso_not0_local, max_s_harm, maxl, maxso, mepos, n1, n2, & local
H A Dqs_linres_atom_current.F646 max_iso_not0, max_iso_not0_local, max_max_iso_not0, max_nso, max_s_harm, maxl, maxlgto, & local
H A Dxas_tdp_atom.F242 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