| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_o3c_methods.F | 347 kkind, kset, m_max, max_nset, maxli, maxlj, maxlk, mepos, nbasis, ncoa, ncob, ncoc, ni, & local
384 max_nset = 0
390 max_nset = MAX(max_nset, iset)
397 max_nset = MAX(max_nset, iset)
404 max_nset = MAX(max_nset, iset)
469 ALLOCATE (max_contr(max_nset, nbasis), max_contra(max_nset, nbasis), &
470 max_contrb(max_nset, nbasis), max_contrc(max_nset, nbasis))
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| H A D | mp2.F | 158 ispin, max_nset, my_bin_size, n_rep_hf, n_threads, nao, natom, ncol_block, nelec_alpha, & local
354 max_nset = 0
358 max_nset = MAX(max_nset, basis_parameter(ikind)%nset)
450 ALLOCATE (mp2_biel%index_table(natom, max_nset))
452 CALL build_index_table(natom, max_nset, mp2_biel%index_table, basis_parameter, kind_of)
817 PURE SUBROUTINE build_index_table(natom, max_nset, index_table, basis_parameter, kind_of) argument
818 INTEGER, INTENT(IN) :: natom, max_nset local
819 INTEGER, DIMENSION(natom, max_nset), INTENT(OUT) :: index_table
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xas_tdp_integrals.F | 282 jkind, jset, katom, kkind, kset, m_max, max_ncob, max_ncoc, max_nset, max_nsgfa, & local
319 max_nset = 0
325 max_nset = MAX(max_nset, iset)
335 max_nset = MAX(max_nset, iset)
345 max_nset = MAX(max_nset, iset)
370 ALLOCATE (max_contr(max_nset, nbasis), max_contra(max_nset, nbasis), &
371 max_contrb(max_nset, nbasis), max_contrc(max_nset, nbasis))
406 ALLOCATE (tspa(max_nset, nbasis), spb(max_nset, nbasis), spc(max_nset, nbasis))
408 DO iset = 1, max_nset
631 DO iset = 1, max_nset
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| H A D | qs_tensors.F | 865 max_nset, max_nsgfi, max_nsgfj, max_nsgfk, maxli, maxlj, maxlk, natom, nbasis, ncoi, & local
969 max_nset = 0
975 max_nset = MAX(max_nset, iset)
986 max_nset = MAX(max_nset, jset)
997 max_nset = MAX(max_nset, kset)
1013 ALLOCATE (spi(max_nset, nbasis), tspj(max_nset, nbasis), spk(max_nset, nbasis))
1015 ALLOCATE (tspi(max_nset, nbasis), spj(max_nset, nbasis), spk(max_nset, nbasis))
1019 DO iset = 1, max_nset
1368 DO iset = 1, max_nset
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| H A D | mp2.F | 155 ispin, max_nset, my_bin_size, n_rep_hf, n_threads, nao, natom, ncol_block, ndep, & local
331 max_nset = 0
335 max_nset = MAX(max_nset, basis_parameter(ikind)%nset)
449 ALLOCATE (mp2_biel%index_table(natom, max_nset))
451 CALL build_index_table(natom, max_nset, mp2_biel%index_table, basis_parameter, kind_of)
816 PURE SUBROUTINE build_index_table(natom, max_nset, index_table, basis_parameter, kind_of) argument
817 INTEGER, INTENT(IN) :: natom, max_nset local
818 INTEGER, DIMENSION(natom, max_nset), INTENT(OUT) :: index_table
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