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Searched refs:dorb (Results 1 – 25 of 37) sorted by relevance

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/dports/astro/swe/swisseph-2.10.1/
H A Dswevents.c1916 *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 …]
H A Dswevents.h73 double dorb; member
/dports/science/octopus/octopus-10.5/src/basis_set/
H A Dorbitalset.F9085 FLOAT, pointer :: dorb(:,:,:) !> The orbital, if real, on the submesh
104 nullify(this%dorb)
146 SAFE_DEALLOCATE_P(this%dorb)
/dports/math/gap/gap-4.11.0/lib/
H A Dmaxsub.gi875 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 …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dsemi_empirical_par_utils.F464 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
H A Dsemi_empirical_int_num.F247 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
H A Dsemi_empirical_int_ana.F1016 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
H A Dsemi_empirical_expns3_methods.F127 IF (sepi%dorb) THEN
159 IF (sepj%dorb) THEN
H A Dsemi_empirical_types.F60 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
H A Dsemi_empirical_int_debug.F90 IF (sepi%dorb .OR. sepj%dorb) THEN
H A Dsemi_empirical_utils.F335 IF (sep%dorb) sep%core_size = 10
H A Datom_utils.F880 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)
H A Dsemi_empirical_int_utils.F1754 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
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dsemi_empirical_int_num.F247 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
H A Dsemi_empirical_par_utils.F464 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
H A Dsemi_empirical_int_ana.F1016 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
H A Dsemi_empirical_expns3_methods.F127 IF (sepi%dorb) THEN
159 IF (sepj%dorb) THEN
H A Dsemi_empirical_types.F60 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
H A Dsemi_empirical_int_debug.F90 IF (sepi%dorb .OR. sepj%dorb) THEN
H A Dsemi_empirical_utils.F335 IF (sep%dorb) sep%core_size = 10
H A Datom_utils.F880 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)
H A Dsemi_empirical_int_utils.F1754 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
/dports/science/octopus/octopus-10.5/src/states/
H A Dstates_elec_io.F90770 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
/dports/science/octopus/octopus-10.5/src/system/
H A Ddos.F90337 norm = norm + dsm_nrm2(os%sphere, os%dorb(1:os%sphere%np,idim,work))**2
H A Doutput.F901572 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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