| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_o3c_methods.F | 75 nsetc, nspin, nthread, sgfa, sgfb, sgfc local
164 nsetc = basis_set_c%nset
202 DO kset = 1, nsetc
348 nj, nk, nseta, nsetb, nsetc, nspin, nthread, sgfa, sgfb, sgfc, unit_id local
541 nsetc = basis_set_c%nset
580 DO kset = 1, nsetc
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| H A D | hfx_screening_methods.F | 153 katom, kind_kind_idx, kkind, kset, mb, mc, nimg, nsetb, nsetc local
176 nsetc = basis_parameter(kkind)%nset
180 DO kset = 1, nsetc
244 nsetc = basis_parameter(kkind)%nset
247 DO kset = 1, nsetc
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| H A D | mp2_ri_libint.F | 439 latom_start, lkind, llB, lset, max_pgf, max_set, natom, ncob, nints, nseta, nsetb, nsetc, & local
574 nsetc = RI_basis_parameter(kkind)%nset
608 DO kset = kset_start, nsetc
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| H A D | qs_ks_atom.F | 112 n_cont_a, n_cont_b, nat, natom, nimages, nkind, nl_table_num_slots, nsetc, nsoctot, & local
384 CALL get_gto_basis_set(gto_basis_set=orb_basis, nset=nsetc, maxso=maxsoc)
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| H A D | mp2_eri.F | 649 nb, nc, nkind, nseta, nsetb, nsetc, nthread, offset_a_end, offset_a_start, offset_b_end, & local
863 nsetc = basis_set_c%nset
871 kset_start = 1; kset_end = nsetc
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| H A D | qs_rho_atom_methods.F | 481 n_cont_a, n_cont_b, nat_kind, natom, nimages, nkind, nsatbas, nsetc, nsoctot, nspins, & local
683 CALL get_gto_basis_set(gto_basis_set=orb_basis_set, nset=nsetc, maxso=maxsoc)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | hfx_screening_methods.F | 153 katom, kind_kind_idx, kkind, kset, mb, mc, nimg, nsetb, nsetc local
176 nsetc = basis_parameter(kkind)%nset
180 DO kset = 1, nsetc
244 nsetc = basis_parameter(kkind)%nset
247 DO kset = 1, nsetc
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| H A D | qs_o3c_methods.F | 56 nsetc, nspin, nthread, sgfa, sgfb, sgfc local
145 nsetc = basis_set_c%nset
183 DO kset = 1, nsetc
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| H A D | mp2_ri_libint.F | 439 latom_start, lkind, llB, lset, max_pgf, max_set, natom, ncob, nints, nseta, nsetb, nsetc, & local
574 nsetc = RI_basis_parameter(kkind)%nset
608 DO kset = kset_start, nsetc
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| H A D | qs_ks_atom.F | 122 n_cont_a, n_cont_b, nat, natom, nimages, nkind, nl_table_num_slots, nsetc, nsoctot, & local
397 CALL get_gto_basis_set(gto_basis_set=orb_basis, nset=nsetc, maxso=maxsoc)
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| H A D | xas_tdp_integrals.F | 284 nsetb, nsetc, nthread, sgfa, sgfb, sgfc, unit_id local
536 nsetc = basis_set_c%nset
570 DO kset = 1, nsetc
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| H A D | mp2_eri.F | 648 … nb, nc, nkind, nseta, nsetb, nsetc, nthread, offset_a_end, offset_a_start, offset_b_end, & local
862 nsetc = basis_set_c%nset
870 kset_start = 1; kset_end = nsetc
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| H A D | qs_rho_atom_methods.F | 492 n_cont_a, n_cont_b, nat_kind, natom, nimages, nkind, nsatbas, nsetc, nsoctot, nspins, & local
683 CALL get_gto_basis_set(gto_basis_set=orb_basis_set, nset=nsetc, maxso=maxsoc)
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