| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | commutator_rpnl.F | 77 maxder, maxl, maxlgto, maxlppnl, maxppnl, maxsgf, mepos, na, nb, ncoa, ncoc, nkind, & local
116 maxlppnl=maxlppnl, &
119 maxl = MAX(maxlgto, maxlppnl)
122 ldsab = MAX(maxco, ncoset(maxlppnl), maxsgf, maxppnl)
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| H A D | core_ppnl.F | 107 lc_max, lc_min, ldai, ldsab, lppnl, maxco, maxder, maxl, maxlgto, maxlppnl, maxppnl, & local
179 maxlppnl=maxlppnl, &
183 maxl = MAX(maxlgto, maxlppnl)
186 ldsab = MAX(maxco, ncoset(maxlppnl), maxsgf, maxppnl)
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| H A D | qs_environment.F | 491 maxlppnl, method_id, multiplicity, my_ival, n_ao, n_ao_aux_fit, n_mo_add, natom, & local
815 CALL get_qs_kind_set(qs_kind_set, maxlgto=maxlgto, maxlppl=maxlppl, maxlppnl=maxlppnl)
835 maxl = MAX(2*maxlgto, maxlppl, maxlppnl, lmax_sphere) + 1
1508 … INTEGER :: maxlgto, maxlppl, maxlppnl, natom, ncgf, & local
1530 maxlppnl=maxlppnl)
1559 IF ((maxlppl > -1) .AND. (maxlppnl > -1)) THEN
1564 "- Non-local part of the GTH pseudopotential: ", maxlppnl
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| H A D | qs_kind_types.F | 803 ncgf, npgf, nset, nsgf, nshell, maxpol, maxlppl, maxlppnl, maxppnl, & argument
812 maxlprj, maxnset, maxsgf_set, ncgf, npgf, nset, nsgf, nshell, maxpol, maxlppl, maxlppnl, & local
853 IF (PRESENT(maxlppnl)) maxlppnl = -1
902 IF (PRESENT(maxlppnl) .AND. ASSOCIATED(gth_potential)) THEN
904 maxlppnl = MAX(maxlppnl, imax)
905 ELSEIF (PRESENT(maxlppnl) .AND. ASSOCIATED(sgp_potential)) THEN
907 maxlppnl = MAX(maxlppnl, imax)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | sap_kind_types.F | 289 l, lc_max, lc_min, ldai, ldsab, lppnl, maxco, maxder, maxl, maxlgto, maxlppnl, maxppnl, & local
339 maxlppnl=maxlppnl, &
342 maxl = MAX(maxlgto, maxlppnl)
345 ldsab = MAX(maxco, ncoset(maxlppnl), maxsgf, maxppnl)
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| H A D | core_ppnl.F | 105 ldsab, lppnl, maxco, maxder, maxl, maxlgto, maxlppnl, maxppnl, maxsgf, na, natom, nb, & local
180 maxlppnl=maxlppnl, &
184 maxl = MAX(maxlgto, maxlppnl)
187 ldsab = MAX(maxco, ncoset(maxlppnl), maxsgf, maxppnl)
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| H A D | qs_environment.F | 507 maxlppnl, method_id, multiplicity, my_ival, n_ao, n_ao_aux_fit, n_mo_add, natom, & local
894 CALL get_qs_kind_set(qs_kind_set, maxlgto=maxlgto, maxlppl=maxlppl, maxlppnl=maxlppnl)
914 maxl = MAX(2*maxlgto, maxlppl, maxlppnl, lmax_sphere) + 1
1610 … INTEGER :: maxlgto, maxlppl, maxlppnl, natom, ncgf, & local
1632 maxlppnl=maxlppnl)
1661 IF ((maxlppl > -1) .AND. (maxlppnl > -1)) THEN
1666 "- Non-local part of the GTH pseudopotential: ", maxlppnl
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| H A D | commutator_rpnl.F | 84 maxder, maxl, maxlgto, maxlppnl, maxppnl, maxsgf, mepos, na, nb, ncoa, ncoc, nkind, & local
123 maxlppnl=maxlppnl, &
126 maxl = MAX(maxlgto, maxlppnl)
129 ldsab = MAX(maxco, ncoset(maxlppnl), maxsgf, maxppnl)
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| H A D | qs_kind_types.F | 806 ncgf, npgf, nset, nsgf, nshell, maxpol, maxlppl, maxlppnl, maxppnl, & argument
815 maxlprj, maxnset, maxsgf_set, ncgf, npgf, nset, nsgf, nshell, maxpol, maxlppl, maxlppnl, & local
857 IF (PRESENT(maxlppnl)) maxlppnl = -1
907 IF (PRESENT(maxlppnl) .AND. ASSOCIATED(gth_potential)) THEN
909 maxlppnl = MAX(maxlppnl, imax)
910 ELSEIF (PRESENT(maxlppnl) .AND. ASSOCIATED(sgp_potential)) THEN
912 maxlppnl = MAX(maxlppnl, imax)
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