nseta (reference) in projects: dports - OpenGrok search results

Project(s)

Full Search
Definition
Symbol
File Path
History
Type

Searched refs:nseta (Results 1 – 25 of 92) sorted by relevance

12 3 4

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A D	hfx_communication.F	`93 jset, mepos, ncpu, nseta, nsetb, pa, pa1, pb, pb1, req(2), source, source_cpu local 116 nseta = basis_parameter(ikind)%nset 125 DO iset = 1, nseta 140 DO iset = 1, nseta 220 jkind, jset, mepos, ncpu, nseta, nsetb, pa, pa1, pb, pb1, req(2), source local 267 nseta = basis_parameter(ikind)%nset 273 DO iset = 1, nseta 455 natom, ncpu, nseta, nsetb, number_of_p_blocks, offset, tmp(2) local 585 nseta = basis_parameter(ikind)%nset 591 DO iset = 1, nseta`
H A D	generic_os_integrals.F	`176 nseta = fba%nset 206 DO iset = 1, nseta 304 nseta = fba%nset 336 DO iset = 1, nseta 431 nseta = fba%nset 459 DO iset = 1, nseta 545 nseta = oba%nset 582 DO iset = 1, nseta 707 nseta = oba%nset 744 DO iset = 1, nseta [all …]`
H A D	qs_oce_methods.F	85 maxder, maxlb, maxlprj, maxnprja, maxsoa, msab, n, ncob, np_car, np_sph, nsatbas, nseta, & local 126 CALL get_gto_basis_set(gto_basis_set=orb_basis_a, nset=nseta, maxso=maxsoa) 132 nsoatot = maxsoanseta 285 maxsoa, n, nsatbas, nseta, nsgfa local 304 nsgf=nsgfa, nsgf_set=nsgf_seta, nset=nseta, maxso=maxsoa) 311 ALLOCATE (prjloc_h(nsetamaxsoa, nsgfa), prjloc_s(nseta*maxsoa, nsgfa)) 316 DO iset = 1, nseta 372 ncoa_sum, nkind, nlist, nneighbor, nsatbas, nseta, nsetb, nsgf_cnt, nsgfa, nsobtot, slot local 500 nset=nseta, &
H A D	hfx_screening_methods.F	`321 nseta, nsetb, sgfa, sgfb local 375 nseta = basis_parameter(ikind)%nset 400 DO iset = 1, nseta 485 nseta = basis_parameter(ikind)%nset 508 DO iset = 1, nseta 568 nseta = basis_parameter(ikind)%nset 592 DO iset = 1, nseta 674 nseta, nsetb, sgfa, sgfb local 724 nseta = basis_parameter(ikind)%nset 747 DO iset = 1, nseta`
H A D	mp2_ri_libint.F	`286 nseta = RI_basis_parameter(ikind)%nset 290 DO iset = 1, nseta 305 nseta = RI_basis_parameter(ikind)%nset 311 DO iset = 1, nseta 542 nseta = RI_basis_parameter(ikind)%nset 597 DO iset = 1, nseta 755 nseta = RI_basis_parameter(ikind)%nset 777 DO iset = 1, nseta 1246 INTEGER :: iatom, ikind, iset, nseta local 1251 nseta = basis_parameter(ikind)%nset [all …]`
H A D	qs_operators_ao.F	`160 nseta = basis_set_a%nset 206 DO iset = 1, nseta 516 nseta = basis_set_a%nset 563 DO iset = 1, nseta 894 nseta = basis_set_a%nset 954 DO iset = 1, nseta 1172 nseta = basis_set_a%nset 1226 DO iset = 1, nseta 1340 na, nb, ncoa, ncob, nda, ndb, nkind, nseta, nsetb, sgfa, sgfb local 1451 nseta = basis_set_a%nset [all …]`
H A D	core_ppl.F	`108 n_local, natom, ncoa, ncob, nexp_lpot, nexp_ppl, nkind, nloc, nseta, nsetb, nthread, & local 268 nseta = basis_set_a%nset 316 DO iset = 1, nseta 402 DO iset = 1, nseta 461 DO iset = 1, nseta 580 natom, ncoa, nexp_lpot, nexp_ppl, nfun, nkind, nloc, nseta, sgfa, sgfb, slot local 680 nseta = basis_set%nset 736 DO iset = 1, nseta`
H A D	qs_overlap.F	`185 maxder, maxs, n1, n2, ncoa, ncob, nder, nimg, nkind, nseta, nsetb, sgfa, sgfb, slot local 354 nseta = basis_set_a%nset 425 DO iset = 1, nseta 571 n2, natom, ncoa, ncob, nkind, nseta, & local 668 nseta = basis_set_a%nset 708 DO iset = 1, nseta 798 natom, ncoa, ncob, nder, nkind, nseta, & local 876 nseta = basis_set_a%nset 920 DO iset = 1, nseta`
H A D	hfx_pair_list_methods.F	`479 n_element, nset_ij, nseta, nsetb local 491 nseta = basis_parameter(ikind)%nset 521 DO iset = 1, nseta 568 jblock, jkind, nseta, nsetb local 583 nseta = basis_parameter(ikind)%nset 657 n_element, nset_ij, nseta, nsetb local 673 nseta = basis_parameter(ikind)%nset 703 DO iset = 1, nseta`
H A D	kg_tnadd_mat.F	`104 ngau, nkind, npol, nseta, nsetb, nthread, sgfa, sgfb local 260 nseta = basis_set_a%nset 312 DO iset = 1, nseta 374 DO iset = 1, nseta 437 DO iset = 1, nseta`
H A D	qs_fermi_contact.F	`82 last_jatom, ldai, ldfc, maxco, maxlgto, maxsgf, natom, ncoa, ncob, nkind, nseta, nsetb, & local 168 nseta = basis_set_a%nset 215 DO iset = 1, nseta`
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A D	hfx_communication.F	`93 jset, mepos, ncpu, nseta, nsetb, pa, pa1, pb, pb1, req(2), source, source_cpu local 116 nseta = basis_parameter(ikind)%nset 125 DO iset = 1, nseta 140 DO iset = 1, nseta 220 jkind, jset, mepos, ncpu, nseta, nsetb, pa, pa1, pb, pb1, req(2), source local 267 nseta = basis_parameter(ikind)%nset 273 DO iset = 1, nseta 455 natom, ncpu, nseta, nsetb, number_of_p_blocks, offset, tmp(2) local 585 nseta = basis_parameter(ikind)%nset 591 DO iset = 1, nseta`
H A D	generic_os_integrals.F	`176 nseta = fba%nset 206 DO iset = 1, nseta 304 nseta = fba%nset 336 DO iset = 1, nseta 431 nseta = fba%nset 459 DO iset = 1, nseta 545 nseta = oba%nset 582 DO iset = 1, nseta 707 nseta = oba%nset 744 DO iset = 1, nseta [all …]`
H A D	qs_oce_methods.F	90 maxder, maxlb, maxlprj, maxnprja, maxsoa, msab, n, ncob, np_car, np_sph, nsatbas, nseta, & local 131 CALL get_gto_basis_set(gto_basis_set=orb_basis_a, nset=nseta, maxso=maxsoa) 137 nsoatot = maxsoanseta 280 maxsoa, n, nsatbas, nseta, nsgfa local 299 nsgf=nsgfa, nsgf_set=nsgf_seta, nset=nseta, maxso=maxsoa) 306 ALLOCATE (prjloc_h(nsetamaxsoa, nsgfa), prjloc_s(nseta*maxsoa, nsgfa)) 311 DO iset = 1, nseta 367 ncoa_sum, nkind, nlist, nneighbor, nsatbas, nseta, nsetb, nsgf_cnt, nsgfa, nsobtot local 445 nset=nseta, &
H A D	hfx_screening_methods.F	`321 nseta, nsetb, sgfa, sgfb local 375 nseta = basis_parameter(ikind)%nset 400 DO iset = 1, nseta 485 nseta = basis_parameter(ikind)%nset 508 DO iset = 1, nseta 568 nseta = basis_parameter(ikind)%nset 592 DO iset = 1, nseta 674 nseta, nsetb, sgfa, sgfb local 724 nseta = basis_parameter(ikind)%nset 747 DO iset = 1, nseta`
H A D	mp2_ri_libint.F	`286 nseta = RI_basis_parameter(ikind)%nset 290 DO iset = 1, nseta 305 nseta = RI_basis_parameter(ikind)%nset 311 DO iset = 1, nseta 542 nseta = RI_basis_parameter(ikind)%nset 597 DO iset = 1, nseta 755 nseta = RI_basis_parameter(ikind)%nset 777 DO iset = 1, nseta 1246 INTEGER :: iatom, ikind, iset, nseta local 1251 nseta = basis_parameter(ikind)%nset [all …]`
H A D	qs_operators_ao.F	`160 nseta = basis_set_a%nset 206 DO iset = 1, nseta 516 nseta = basis_set_a%nset 563 DO iset = 1, nseta 894 nseta = basis_set_a%nset 954 DO iset = 1, nseta 1172 nseta = basis_set_a%nset 1226 DO iset = 1, nseta 1340 na, nb, ncoa, ncob, nda, ndb, nkind, nseta, nsetb, sgfa, sgfb local 1451 nseta = basis_set_a%nset [all …]`
H A D	hfx_types.F	478 n_threads, natom_a, natom_b, nkind, nseta, nsetb, pbc_shells, storage_id local 747 nseta = actual_x_data%basis_parameter(ikind)%nset 764 nseta = actual_x_data%basis_parameter(ikind)%nset 865 max_nsgfl, max_pgf, max_pgf_kind, max_set, nkind, nl_count, nset, nseta, offset_a, & local 936 nseta = basis_parameter(ikind)%nset 940 DO iset = 1, nseta 955 nseta = basis_parameter(ikind)%nset 961 DO iset = 1, nseta 1261 m(3), max_shell, nseta, nsetb, total_number_of_cells, ub, ub_max local 1303 nseta = x_data%basis_parameter(ikind)%nset [all …]
H A D	core_ppl.F	`106 nseta, nsetb, nthread, sgfa, sgfb local 243 nseta = basis_set_a%nset 291 DO iset = 1, nseta 382 DO iset = 1, nseta 444 DO iset = 1, nseta 542 maxsgf, mepos, n_local, natom, ncoa, nexp_lpot, nexp_ppl, nfun, nkind, nloc, nseta, & local 631 nseta = basis_set%nset 687 DO iset = 1, nseta`
H A D	qs_overlap.F	`138 jset, ldsab, maxder, maxs, mepos, n1, n2, natom, ncoa, ncob, nder, nimg, nkind, nseta, & local 291 nseta = basis_set_a%nset 362 DO iset = 1, nseta 484 ldsab, m1, m2, mepos, n1, n2, natom, ncoa, ncob, nkind, nseta, nsetb, nthread, sgfa, sgfb local 571 nseta = basis_set_a%nset 611 DO iset = 1, nseta 692 ldsab, n1, n2, ncoa, ncob, nder, nkind, nseta, nsetb, sgfa, sgfb local 751 nseta = basis_set_a%nset 805 DO iset = 1, nseta`
H A D	hfx_pair_list_methods.F	`479 n_element, nset_ij, nseta, nsetb local 491 nseta = basis_parameter(ikind)%nset 521 DO iset = 1, nseta 568 jblock, jkind, nseta, nsetb local 583 nseta = basis_parameter(ikind)%nset 657 n_element, nset_ij, nseta, nsetb local 673 nseta = basis_parameter(ikind)%nset 703 DO iset = 1, nseta`
H A D	kg_tnadd_mat.F	`104 ngau, nkind, npol, nseta, nsetb, nthread, sgfa, sgfb local 260 nseta = basis_set_a%nset 312 DO iset = 1, nseta 374 DO iset = 1, nseta 437 DO iset = 1, nseta`
H A D	qs_fermi_contact.F	`82 last_jatom, ldai, ldfc, maxco, maxlgto, maxsgf, natom, ncoa, ncob, nkind, nseta, nsetb, & local 168 nseta = basis_set_a%nset 215 DO iset = 1, nseta`
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/shg_int/
H A D	generic_shg_integrals.F	`460 nseta = fba%nset 496 DO iset = 1, nseta 580 nseta = fba%nset 616 DO iset = 1, nseta 710 nseta = fba%nset 742 DO iset = 1, nseta 841 nseta = oba%nset 890 DO iset = 1, nseta 993 nseta = oba%nset 1013 DO iset = 1, nseta [all …]`
/dports/science/cp2k-data/cp2k-7.1.0/src/shg_int/
H A D	generic_shg_integrals.F	`460 nseta = fba%nset 496 DO iset = 1, nseta 580 nseta = fba%nset 616 DO iset = 1, nseta 710 nseta = fba%nset 742 DO iset = 1, nseta 841 nseta = oba%nset 890 DO iset = 1, nseta 993 nseta = oba%nset 1013 DO iset = 1, nseta [all …]`

12 3 4