/dports/astro/swe/swisseph-2.10.1/ |
H A D | swevents.c | 1916 *dorb = 0; in get_near_crossing_bin_search() 1937 *dorb = 0; in get_near_crossing_bin_search() 1955 *dorb = d1; in get_near_crossing_bin_search() 1982 pevd->dorb = dorb; in fill_pev_day() 1986 if (fabs(dorb) > 0) in fill_pev_day() 2011 if (fabs(dorb) > 0) in test_print_date() 2095 double jut, dorb, dur; in read_sweasp_dat() local 2322 if (fabs(dorb) > 0) { in calc_mundane_aspects() 2590 if (fabs(dorb2) < fabs(dorb)) { in extract_data_of_day() 2591 dorb = dorb2; in extract_data_of_day() [all …]
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H A D | swevents.h | 73 double dorb; member
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/dports/science/octopus/octopus-10.5/src/basis_set/ |
H A D | orbitalset.F90 | 85 FLOAT, pointer :: dorb(:,:,:) !> The orbital, if real, on the submesh 104 nullify(this%dorb) 146 SAFE_DEALLOCATE_P(this%dorb)
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/dports/math/gap/gap-4.11.0/lib/ |
H A D | maxsub.gi | 875 dorb:=List(dorb,x->List(x,y->Position(d,y))); # as numbers 878 dorbc:=List(dorb,x->NormalClosure(q,d[x[1]])); 882 for dn in [1..Length(dorb)] do 885 if Length(dorb[dn])=1 and "2" in types then 897 if Length(dorb[dn])>1 then 918 if Length(dorb[dn])>5 919 and not IsSolvableGroup(Action(q,d{dorb[dn]})) 932 comb:=Combinations([1..Length(dorb)],2); 934 and Length(dorb[x[1]])=Length(dorb[x[2]])); 957 if Length(dorb[dn[1]])=1 then [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | semi_empirical_par_utils.F | 464 IF (sep%extended_basis_set) sep%dorb = element_has_d(sep) 465 IF (sep%dorb) THEN 470 IF (.NOT. sep%dorb) THEN 567 IF (sep%dorb) THEN 612 IF (sep%dorb) THEN 684 IF (sep%dorb) THEN 722 IF (sep%dorb) THEN 1077 IF (sep%dorb) THEN
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H A D | semi_empirical_int_num.F | 247 IF (sepi%dorb .OR. sepj%dorb) THEN 824 IF (sepi%dorb .OR. sepj%dorb) THEN 955 IF (sepi%dorb .OR. sepj%dorb) THEN 957 IF (sepj%dorb) THEN 977 IF (sepi%dorb) THEN
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H A D | semi_empirical_int_ana.F | 1016 IF (sepi%dorb .OR. sepj%dorb) THEN 1027 IF (sepi%dorb .OR. sepj%dorb) THEN 1184 IF (sepi%dorb .OR. sepj%dorb) THEN 1186 IF (sepj%dorb) THEN 1206 IF (sepi%dorb) THEN 1614 IF (sepi%dorb .OR. sepj%dorb) THEN 1625 IF (sepi%dorb .OR. sepj%dorb) THEN
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H A D | semi_empirical_expns3_methods.F | 127 IF (sepi%dorb) THEN 159 IF (sepj%dorb) THEN
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H A D | semi_empirical_types.F | 60 LOGICAL :: defined, dorb, extended_basis_set component 255 sep%dorb = .FALSE. 787 IF (sep%dorb) THEN 812 IF (sep%dorb) THEN 827 IF (sep%dorb) THEN
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H A D | semi_empirical_int_debug.F | 90 IF (sepi%dorb .OR. sepj%dorb) THEN
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H A D | semi_empirical_utils.F | 335 IF (sep%dorb) sep%core_size = 10
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H A D | atom_utils.F | 880 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: dorb local 883 ALLOCATE (dorb(m)) 885 dorb = 0._dp 888 dorb(1:m) = dorb(1:m) + ff*basis%dbf(1:m, i, l) 893 IF (dorb(i)*dorb(i + 1) < 0._dp) THEN 898 DEALLOCATE (dorb)
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H A D | semi_empirical_int_utils.F | 1754 IF (sepi%dorb .OR. sepj%dorb) THEN 1813 IF (sepi%dorb .OR. sepj%dorb) THEN 1905 IF (sepi%dorb .OR. sepj%dorb) THEN 1967 IF (sepi%dorb .OR. sepj%dorb) THEN
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | semi_empirical_int_num.F | 247 IF (sepi%dorb .OR. sepj%dorb) THEN 824 IF (sepi%dorb .OR. sepj%dorb) THEN 955 IF (sepi%dorb .OR. sepj%dorb) THEN 957 IF (sepj%dorb) THEN 977 IF (sepi%dorb) THEN
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H A D | semi_empirical_par_utils.F | 464 IF (sep%extended_basis_set) sep%dorb = element_has_d(sep) 465 IF (sep%dorb) THEN 470 IF (.NOT. sep%dorb) THEN 567 IF (sep%dorb) THEN 612 IF (sep%dorb) THEN 684 IF (sep%dorb) THEN 722 IF (sep%dorb) THEN 1077 IF (sep%dorb) THEN
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H A D | semi_empirical_int_ana.F | 1016 IF (sepi%dorb .OR. sepj%dorb) THEN 1027 IF (sepi%dorb .OR. sepj%dorb) THEN 1184 IF (sepi%dorb .OR. sepj%dorb) THEN 1186 IF (sepj%dorb) THEN 1206 IF (sepi%dorb) THEN 1614 IF (sepi%dorb .OR. sepj%dorb) THEN 1625 IF (sepi%dorb .OR. sepj%dorb) THEN
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H A D | semi_empirical_expns3_methods.F | 127 IF (sepi%dorb) THEN 159 IF (sepj%dorb) THEN
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H A D | semi_empirical_types.F | 60 LOGICAL :: defined, dorb, extended_basis_set component 255 sep%dorb = .FALSE. 787 IF (sep%dorb) THEN 812 IF (sep%dorb) THEN 827 IF (sep%dorb) THEN
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H A D | semi_empirical_int_debug.F | 90 IF (sepi%dorb .OR. sepj%dorb) THEN
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H A D | semi_empirical_utils.F | 335 IF (sep%dorb) sep%core_size = 10
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H A D | atom_utils.F | 880 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: dorb local 883 ALLOCATE (dorb(m)) 885 dorb = 0._dp 888 dorb(1:m) = dorb(1:m) + ff*basis%dbf(1:m, i, l) 893 IF (dorb(i)*dorb(i + 1) < 0._dp) THEN 898 DEALLOCATE (dorb)
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H A D | semi_empirical_int_utils.F | 1754 IF (sepi%dorb .OR. sepj%dorb) THEN 1813 IF (sepi%dorb .OR. sepj%dorb) THEN 1905 IF (sepi%dorb .OR. sepj%dorb) THEN 1967 IF (sepi%dorb .OR. sepj%dorb) THEN
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/dports/science/octopus/octopus-10.5/src/states/ |
H A D | states_elec_io.F90 | 770 norm = norm + dsm_nrm2(os%sphere, os%dorb(1:os%sphere%np,idim,iorb))**2 774 os%dorb(1:os%sphere%np,idim,iorb) = os%dorb(1:os%sphere%np,idim,iorb)/norm
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/dports/science/octopus/octopus-10.5/src/system/ |
H A D | dos.F90 | 337 norm = norm + dsm_nrm2(os%sphere, os%dorb(1:os%sphere%np,idim,work))**2
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H A D | output.F90 | 1572 os%dorb(1:mesh%np,idim,im), fn_unit, ierr, geo = geo) 1580 call submesh_add_to_mesh(os%sphere, os%dorb(1:os%sphere%np,idim,im), dtmp)
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