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Searched defs:nseta (Results 1 – 25 of 86) sorted by relevance

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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dhfx_communication.F93 jset, mepos, ncpu, nseta, nsetb, pa, pa1, pb, pb1, req(2), source, source_cpu local
220 jkind, jset, mepos, ncpu, nseta, nsetb, pa, pa1, pb, pb1, req(2), source local
455 natom, ncpu, nseta, nsetb, number_of_p_blocks, offset, tmp(2) local
H A Dgeneric_os_integrals.F158 nseta, nsetb, sgfa, sgfb local
283 ncoa, ncob, nseta, nsetb, sgfa, sgfb local
411 ncoa, ncob, nseta, nsetb, sgfa, sgfb local
519 m3, ncoa, ncob, ncoc, nseta, nsetb, & local
681 m3, ncoa, ncob, ncoc, nseta, nsetb, & local
837 m4, maxco, maxcoa, maxcob, maxl, maxla, maxlb, ncoa1, ncoa2, ncob1, ncob2, nseta, nsetb, & local
H A Dhfx_pair_list_methods.F479 n_element, nset_ij, nseta, nsetb local
568 jblock, jkind, nseta, nsetb local
657 n_element, nset_ij, nseta, nsetb local
H A Dqs_oce_methods.F85 maxder, maxlb, maxlprj, maxnprja, maxsoa, msab, n, ncob, np_car, np_sph, nsatbas, nseta, & local
285 maxsoa, n, nsatbas, nseta, nsgfa local
372 ncoa_sum, nkind, nlist, nneighbor, nsatbas, nseta, nsetb, nsgf_cnt, nsgfa, nsobtot, slot local
H A Dqs_fermi_contact.F82 last_jatom, ldai, ldfc, maxco, maxlgto, maxsgf, natom, ncoa, ncob, nkind, nseta, nsetb, & local
H A Dqs_spin_orbit.F82 nseta, nsetb, sgfa, sgfb local
H A Dqs_elec_field.F83 nseta, nsetb, sgfa, sgfb local
H A Dqs_operators_ao.F78 ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, nseta, nsetb, & local
433 ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, nseta, nsetb, & local
809 ldab, ldsa, ldsb, ldwork, maxl, ncoa, ncob, nkind, nseta, nsetb, sgfa, sgfb local
1077 last_jatom, ldab, ldsa, ldsb, ldwork, M_dim, maxl, ncoa, ncob, nkind, nseta, nsetb, sgfa, & local
1340 na, nb, ncoa, ncob, nda, ndb, nkind, nseta, nsetb, sgfa, sgfb local
H A Dqs_overlap.F185 maxder, maxs, n1, n2, ncoa, ncob, nder, nimg, nkind, nseta, nsetb, sgfa, sgfb, slot local
571 n2, natom, ncoa, ncob, nkind, nseta, & local
798 natom, ncoa, ncob, nder, nkind, nseta, & local
H A Dcore_ppl.F108 n_local, natom, ncoa, ncob, nexp_lpot, nexp_ppl, nkind, nloc, nseta, nsetb, nthread, & local
580 natom, ncoa, nexp_lpot, nexp_ppl, nfun, nkind, nloc, nseta, sgfa, sgfb, slot local
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dhfx_communication.F93 jset, mepos, ncpu, nseta, nsetb, pa, pa1, pb, pb1, req(2), source, source_cpu local
220 jkind, jset, mepos, ncpu, nseta, nsetb, pa, pa1, pb, pb1, req(2), source local
455 natom, ncpu, nseta, nsetb, number_of_p_blocks, offset, tmp(2) local
H A Dgeneric_os_integrals.F158 nseta, nsetb, sgfa, sgfb local
283 ncoa, ncob, nseta, nsetb, sgfa, sgfb local
411 ncoa, ncob, nseta, nsetb, sgfa, sgfb local
519 m3, ncoa, ncob, ncoc, nseta, nsetb, & local
681 m3, ncoa, ncob, ncoc, nseta, nsetb, & local
837 m4, maxco, maxcoa, maxcob, maxl, maxla, maxlb, ncoa1, ncoa2, ncob1, ncob2, nseta, nsetb, & local
H A Dhfx_pair_list_methods.F479 n_element, nset_ij, nseta, nsetb local
568 jblock, jkind, nseta, nsetb local
657 n_element, nset_ij, nseta, nsetb local
H A Dqs_oce_methods.F90 maxder, maxlb, maxlprj, maxnprja, maxsoa, msab, n, ncob, np_car, np_sph, nsatbas, nseta, & local
280 maxsoa, n, nsatbas, nseta, nsgfa local
367 ncoa_sum, nkind, nlist, nneighbor, nsatbas, nseta, nsetb, nsgf_cnt, nsgfa, nsobtot local
H A Dqs_elec_field.F83 nseta, nsetb, sgfa, sgfb local
H A Dqs_fermi_contact.F82 last_jatom, ldai, ldfc, maxco, maxlgto, maxsgf, natom, ncoa, ncob, nkind, nseta, nsetb, & local
H A Dqs_spin_orbit.F82 nseta, nsetb, sgfa, sgfb local
H A Dqs_overlap.F138 jset, ldsab, maxder, maxs, mepos, n1, n2, natom, ncoa, ncob, nder, nimg, nkind, nseta, & local
484 ldsab, m1, m2, mepos, n1, n2, natom, ncoa, ncob, nkind, nseta, nsetb, nthread, sgfa, sgfb local
692 ldsab, n1, n2, ncoa, ncob, nder, nkind, nseta, nsetb, sgfa, sgfb local
H A Dqs_operators_ao.F78 ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, nseta, nsetb, & local
433 ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, nseta, nsetb, & local
809 ldab, ldsa, ldsb, ldwork, maxl, ncoa, ncob, nkind, nseta, nsetb, sgfa, sgfb local
1077 last_jatom, ldab, ldsa, ldsb, ldwork, M_dim, maxl, ncoa, ncob, nkind, nseta, nsetb, sgfa, & local
1340 na, nb, ncoa, ncob, nda, ndb, nkind, nseta, nsetb, sgfa, sgfb local
H A Dqs_kinetic.F112 ldsab, mepos, natom, ncoa, ncob, nimg, nkind, nseta, nsetb, nthread, sgfa, sgfb local
H A Dcore_ppl.F106 nseta, nsetb, nthread, sgfa, sgfb local
542 maxsgf, mepos, n_local, natom, ncoa, nexp_lpot, nexp_ppl, nfun, nkind, nloc, nseta, & local
H A Dcommutator_rpnl.F78 nlist, nneighbor, nnode, np, nppnl, nprjc, nseta, nsgfa, nthread, prjc, sgfa local
H A Dhfx_types.F478 n_threads, natom_a, natom_b, nkind, nseta, nsetb, pbc_shells, storage_id local
865 max_nsgfl, max_pgf, max_pgf_kind, max_set, nkind, nl_count, nset, nseta, offset_a, & local
1261 m(3), max_shell, nseta, nsetb, total_number_of_cells, ub, ub_max local
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/shg_int/
H A Dgeneric_shg_integrals.F442 npgfb_set, nseta, nsetb, nsgfa_set, nsgfb_set, nshella_set, nshellb_set local
561 npgfb_set, nseta, nsetb, nshella_set, & local
692 npgfb_set, nseta, nsetb, nshella_set, & local
817 nb, ncb, ndev, nds, nds_max, nl, nl_set, npgfa_set, npgfb_set, npgfcb_set, nseta, nsetb, & local
979 kset, ksgfa, kshella, kstart, lai, laj, lak, nseta, nsetca, nsgfa, nsgfca, sgfa_end, & local
1129 nb, nca, ndev, nds, nds_max, nl, nl_set, npgfa_set, npgfb_set, npgfca_set, nseta, nsetb, & local
/dports/science/cp2k-data/cp2k-7.1.0/src/shg_int/
H A Dgeneric_shg_integrals.F442 npgfb_set, nseta, nsetb, nsgfa_set, nsgfb_set, nshella_set, nshellb_set local
561 npgfb_set, nseta, nsetb, nshella_set, & local
692 npgfb_set, nseta, nsetb, nshella_set, & local
817 nb, ncb, ndev, nds, nds_max, nl, nl_set, npgfa_set, npgfb_set, npgfcb_set, nseta, nsetb, & local
979 kset, ksgfa, kshella, kstart, lai, laj, lak, nseta, nsetca, nsgfa, nsgfca, sgfa_end, & local
1129 nb, nca, ndev, nds, nds_max, nl, nl_set, npgfa_set, npgfb_set, npgfca_set, nseta, nsetb, & local

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