| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | core_ae.F | 99 kkind, ldai, ldsab, maxco, maxl, maxnset, maxsgf, mepos, na_plus, natom, nb_plus, ncoa, & local
172 maxco=maxco, maxlgto=maxl, maxsgf=maxsgf, maxnset=maxnset)
213 ALLOCATE (hab(ldsab, ldsab, maxnset*maxnset), work(ldsab, ldsab))
216 ALLOCATE (pab(maxco, maxco, maxnset*maxnset))
296 nij = jset + (iset - 1)*maxnset
353 nij = jset + (iset - 1)*maxnset
410 nij = jset + (iset - 1)*maxnset
|
| H A D | kg_tnadd_mat.F | 103 maxco, maxder, maxl, maxlgto, maxnset, maxpol, maxsgf, mepos, natom, ncoa, ncob, nder, & local
165 maxsgf=maxsgf, maxnset=maxnset)
228 ALLOCATE (hab(ldsab, ldsab, maxnset, maxnset), work(ldsab, ldsab*maxder))
232 ALLOCATE (pab(maxco, maxco, maxnset, maxnset))
|
| H A D | core_ppl.F | 107 katom, kkind, ldai, ldsab, maxco, maxder, maxl, maxlgto, maxlppl, maxnset, maxsgf, mepos, & local
173 maxsgf=maxsgf, maxnset=maxnset, maxlppl=maxlppl, &
236 ALLOCATE (hab(ldsab, ldsab, maxnset, maxnset), work(ldsab, ldsab*maxder))
240 ALLOCATE (pab(maxco, maxco, maxnset, maxnset))
|
| H A D | qs_rho0_methods.F | 361 INTEGER :: handle, iat, iatom, ikind, l, l_rho1_max, laddg, lmaxg, maxl, maxnset, maxso, & local
423 maxnset = 0
443 maxnset = MAX(maxnset, nset)
|
| H A D | qs_kind_types.F | 805 … maxcgf, maxsgf, maxco, maxco_proj, maxgtops, maxlgto, maxlprj, maxnset, maxsgf_set, & argument
815 maxlprj, maxnset, maxsgf_set, ncgf, npgf, nset, nsgf, nshell, maxpol, maxlppl, maxlppnl, & local
860 IF (PRESENT(maxnset)) maxnset = 0
989 IF (PRESENT(maxnset)) THEN
992 maxnset = MAX(maxnset, n)
|
| H A D | hfx_types.F | 1551 maxnset=basis_info%max_set, &
1558 maxnset=basis_info%max_set, &
|
| H A D | mp2_ri_libint.F | 208 maxnset=RI_basis_info%max_set, &
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | core_ae.F | 93 jatom, jkind, jset, katom, kkind, ldai, ldsab, maxco, maxder, maxl, maxnset, maxsgf, & local
150 maxco=maxco, maxlgto=maxl, maxsgf=maxsgf, maxnset=maxnset)
156 ALLOCATE (hab(ldsab, ldsab, maxnset*maxnset), work(ldsab, ldsab))
159 ALLOCATE (pab(maxco, maxco, maxnset*maxnset))
245 nij = jset + (iset - 1)*maxnset
305 nij = jset + (iset - 1)*maxnset
366 nij = jset + (iset - 1)*maxnset
|
| H A D | kg_tnadd_mat.F | 103 maxco, maxder, maxl, maxlgto, maxnset, maxpol, maxsgf, mepos, natom, ncoa, ncob, nder, & local
165 maxsgf=maxsgf, maxnset=maxnset)
228 ALLOCATE (hab(ldsab, ldsab, maxnset, maxnset), work(ldsab, ldsab*maxder))
232 ALLOCATE (pab(maxco, maxco, maxnset, maxnset))
|
| H A D | core_ppl.F | 105 maxnset, maxsgf, mepos, n_local, natom, ncoa, ncob, nexp_lpot, nexp_ppl, nkind, nloc, & local
163 maxsgf=maxsgf, maxnset=maxnset, maxlppl=maxlppl, &
216 ALLOCATE (hab(ldsab, ldsab, maxnset, maxnset), work(ldsab, ldsab*maxder))
220 ALLOCATE (pab(maxco, maxco, maxnset, maxnset))
|
| H A D | qs_rho0_methods.F | 367 INTEGER :: handle, iat, iatom, ikind, l, l_rho1_max, laddg, lmaxg, maxl, maxnset, maxso, & local
435 maxnset = 0
452 maxnset = MAX(maxnset, nset)
|
| H A D | qs_interactions.F | 84 maxl, maxnset, n_local, nexp_lpot, nexp_lsd, nexp_ppl, nkind, nloc local
114 CALL get_qs_kind_set(qs_kind_set, maxnset=maxnset)
|
| H A D | qs_kind_types.F | 802 … maxcgf, maxsgf, maxco, maxco_proj, maxgtops, maxlgto, maxlprj, maxnset, maxsgf_set, & argument
812 maxlprj, maxnset, maxsgf_set, ncgf, npgf, nset, nsgf, nshell, maxpol, maxlppl, maxlppnl, & local
856 IF (PRESENT(maxnset)) maxnset = 0
984 IF (PRESENT(maxnset)) THEN
987 maxnset = MAX(maxnset, n)
|
| H A D | hfx_types.F | 884 maxnset=basis_info%max_set, &
891 maxnset=basis_info%max_set, &
|
| H A D | mp2_ri_libint.F | 208 maxnset=RI_basis_info%max_set, &
|