/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | paw_proj_set_types.F | 73 INTEGER, DIMENSION(:), POINTER :: o2nindex ! maxso*nset component 135 NULLIFY (paw_proj_set%o2nindex) 175 DEALLOCATE (paw_proj_set%o2nindex) 746 ALLOCATE (paw_proj%o2nindex(maxso*nset)) 748 paw_proj%o2nindex = 0 760 paw_proj%o2nindex(iso) = ico 807 o2nindex, n2oindex, & argument 815 INTEGER, DIMENSION(:), OPTIONAL, POINTER :: nprj, o2nindex, n2oindex local 843 IF (PRESENT(o2nindex)) o2nindex => paw_proj_set%o2nindex
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H A D | qs_electric_field_gradient.F | 439 INTEGER, DIMENSION(:), POINTER :: lmax, lmin, npgf, o2nindex local 460 CALL get_paw_proj_set(paw_proj_set=paw_proj, o2nindex=o2nindex) 489 iso1_first = o2nindex(iso1_first) 490 iso1_last = o2nindex(iso1_last) 500 iso2_first = o2nindex(iso2_first) 501 iso2_last = o2nindex(iso2_last)
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H A D | xray_diffraction.F | 514 INTEGER, DIMENSION(:), POINTER :: atom_list, lmax, lmin, npgf, o2nindex local 626 CALL get_paw_proj_set(paw_proj_set=paw_proj, o2nindex=o2nindex, nsatbas=nsatbas) 692 ison = o2nindex(iso) 693 json = o2nindex(jso)
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H A D | qs_rho_atom_methods.F | 126 INTEGER, DIMENSION(:), POINTER :: lmax, lmin, npgf, o2nindex local 152 CALL get_paw_proj_set(paw_proj_set=paw_proj, o2nindex=o2nindex) 210 iso1_first = o2nindex(iso1_first) 211 iso1_last = o2nindex(iso1_last) 223 iso2_first = o2nindex(iso2_first) 224 iso2_last = o2nindex(iso2_last)
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H A D | qs_linres_atom_current.F | 652 INTEGER, DIMENSION(:), POINTER :: atom_list, lmax, lmin, npgf, o2nindex local 728 CALL get_paw_proj_set(paw_proj_set=paw_proj, o2nindex=o2nindex) 799 iso1_first = o2nindex(iso1_first) 800 iso1_last = o2nindex(iso1_last) 812 iso2_first = o2nindex(iso2_first) 813 iso2_last = o2nindex(iso2_last)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | paw_proj_set_types.F | 73 INTEGER, DIMENSION(:), POINTER :: o2nindex ! maxso*nset component 135 NULLIFY (paw_proj_set%o2nindex) 175 DEALLOCATE (paw_proj_set%o2nindex) 748 ALLOCATE (paw_proj%o2nindex(maxso*nset)) 750 paw_proj%o2nindex = 0 762 paw_proj%o2nindex(iso) = ico 809 o2nindex, n2oindex, & argument 817 INTEGER, DIMENSION(:), OPTIONAL, POINTER :: nprj, o2nindex, n2oindex local 845 IF (PRESENT(o2nindex)) o2nindex => paw_proj_set%o2nindex
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H A D | qs_electric_field_gradient.F | 439 INTEGER, DIMENSION(:), POINTER :: lmax, lmin, npgf, o2nindex local 460 CALL get_paw_proj_set(paw_proj_set=paw_proj, o2nindex=o2nindex) 489 iso1_first = o2nindex(iso1_first) 490 iso1_last = o2nindex(iso1_last) 500 iso2_first = o2nindex(iso2_first) 501 iso2_last = o2nindex(iso2_last)
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H A D | xray_diffraction.F | 515 INTEGER, DIMENSION(:), POINTER :: atom_list, lmax, lmin, npgf, o2nindex local 627 CALL get_paw_proj_set(paw_proj_set=paw_proj, o2nindex=o2nindex, nsatbas=nsatbas) 693 ison = o2nindex(iso) 694 json = o2nindex(jso)
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H A D | qs_rho_atom_methods.F | 123 INTEGER, DIMENSION(:), POINTER :: lmax, lmin, npgf, o2nindex local 150 CALL get_paw_proj_set(paw_proj_set=paw_proj, o2nindex=o2nindex) 208 iso1_first = o2nindex(iso1_first) 209 iso1_last = o2nindex(iso1_last) 221 iso2_first = o2nindex(iso2_first) 222 iso2_last = o2nindex(iso2_last)
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H A D | qs_linres_atom_current.F | 652 INTEGER, DIMENSION(:), POINTER :: atom_list, lmax, lmin, npgf, o2nindex local 728 CALL get_paw_proj_set(paw_proj_set=paw_proj, o2nindex=o2nindex) 799 iso1_first = o2nindex(iso1_first) 800 iso1_last = o2nindex(iso1_last) 812 iso2_first = o2nindex(iso2_first) 813 iso2_last = o2nindex(iso2_last)
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