| /dports/science/quantum-espresso/q-e-qe-6.7.0/PP/examples/exx_scf_bands_example/reference/ |
| H A D | si.scf.out | 2507 occupation numbers
2514 occupation numbers
2521 occupation numbers
2528 occupation numbers
2535 occupation numbers
2542 occupation numbers
2549 occupation numbers
2556 occupation numbers
2563 occupation numbers
2570 occupation numbers
[all …]
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/PP/simple_transport/examples/scf/ |
| H A D | GaAs.scf.out | 2360 occupation numbers
2369 occupation numbers
2378 occupation numbers
2387 occupation numbers
2396 occupation numbers
2405 occupation numbers
2414 occupation numbers
2423 occupation numbers
2432 occupation numbers
2441 occupation numbers
[all …]
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/HP/examples/example10/reference/ |
| H A D | LiCoO2.scf.out | 397 occupation matrix before diagonalization:
411 occupation matrix before diagonalization:
423 occupation matrix before diagonalization:
454 occupation matrix before diagonalization:
468 occupation matrix before diagonalization:
480 occupation matrix before diagonalization:
513 occupation matrix before diagonalization:
3510 occupation numbers
3519 occupation numbers
3528 occupation numbers
[all …]
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/hp_metal_paw_magn_intersiteV/ |
| H A D | benchmark.out.git.inp=LiNiO2.scf.in.args=2 | 417 occupation matrix before diagonalization:
431 occupation matrix before diagonalization:
443 occupation matrix before diagonalization:
2016 occupation numbers
2027 occupation numbers
2038 occupation numbers
2049 occupation numbers
2063 occupation numbers
2074 occupation numbers
2085 occupation numbers
[all …]
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/PW/examples/example13/reference/ |
| H A D | LiCoO2.scf.out | 401 occupation matrix before diagonalization:
415 occupation matrix before diagonalization:
427 occupation matrix before diagonalization:
458 occupation matrix before diagonalization:
472 occupation matrix before diagonalization:
484 occupation matrix before diagonalization:
517 occupation matrix before diagonalization:
1449 occupation numbers
1458 occupation numbers
1467 occupation numbers
[all …]
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/PP/examples/ACF_example/reference_pbe/ |
| H A D | atoms.out | 735 occupation numbers
746 occupation numbers
757 occupation numbers
768 occupation numbers
779 occupation numbers
790 occupation numbers
801 occupation numbers
812 occupation numbers
823 occupation numbers
834 occupation numbers
[all …]
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/PP/examples/ACF_example/reference_vdw-df-cx/ |
| H A D | atoms.out | 817 occupation numbers
828 occupation numbers
839 occupation numbers
850 occupation numbers
861 occupation numbers
872 occupation numbers
883 occupation numbers
894 occupation numbers
905 occupation numbers
916 occupation numbers
[all …]
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/hp_insulator_us_intersiteV/ |
| H A D | benchmark.out.git.inp=LiCoO2.scf.in.args=1 | 408 occupation matrix before diagonalization:
422 occupation matrix before diagonalization:
434 occupation matrix before diagonalization:
465 occupation matrix before diagonalization:
479 occupation matrix before diagonalization:
491 occupation matrix before diagonalization:
524 occupation matrix before diagonalization:
1161 occupation numbers
1170 occupation numbers
1179 occupation numbers
[all …]
|
| H A D | benchmark.out.git.inp=LiCoO2.scf.in.args=2 | 408 occupation matrix before diagonalization:
422 occupation matrix before diagonalization:
434 occupation matrix before diagonalization:
465 occupation matrix before diagonalization:
479 occupation matrix before diagonalization:
491 occupation matrix before diagonalization:
524 occupation matrix before diagonalization:
1161 occupation numbers
1170 occupation numbers
1179 occupation numbers
[all …]
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/pw_lda+U/ |
| H A D | benchmark.out.git.inp=lda+U+V-user_ns.in | 191 occupation matrix before diagonalization:
203 occupation matrix before diagonalization:
219 occupation matrix before diagonalization:
237 occupation matrix before diagonalization:
251 occupation matrix before diagonalization:
263 occupation matrix before diagonalization:
279 occupation matrix before diagonalization:
297 occupation matrix before diagonalization:
331 occupation matrix before diagonalization:
343 occupation matrix before diagonalization:
[all …]
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/PP/examples/pw2gw_example/reference/ |
| H A D | bn.scf.out | 476 occupation numbers
487 occupation numbers
498 occupation numbers
509 occupation numbers
520 occupation numbers
531 occupation numbers
542 occupation numbers
553 occupation numbers
564 occupation numbers
575 occupation numbers
[all …]
|
| /dports/science/octopus/octopus-10.5/testsuite/functionals/ |
| H A D | 16-dressed-rdmft.test | 20 match ; dHF highest occupation number ; GREPFIELD(static/info, 'Natural occupation numbers', 2, 2) …
22 match ; dHF total mode occupation ; GREPFIELD(static/info, 'Total mode occupation', 4) ;0.06669…
31 match ; dRDMFT total mode occupation ; GREPFIELD(static/info, 'Total mode occupation', 4) ; 0.0…
33 match ; dRDMFT highest occupation number ; GREPFIELD(static/info, 'Natural occupation numbers', 2, …
|
| /dports/cad/sumo/sumo-1.2.0/tools/contributed/traas/src/de/tudresden/ws/container/ |
| H A D | SumoBestLanes.java | 36 …public void add(String laneID, double length, double occupation, int offset, int allowsContinuatio… in add() argument
37 this.ll.add(new SumoBestLane(laneID, length, occupation, offset, allowsContinuation, ll)); in add()
49 public double occupation; field in SumoBestLanes.SumoBestLane
53 …public SumoBestLane(String laneID, double length, double occupation, int offset, int allowsContinu… in SumoBestLane() argument
56 this.occupation = occupation; in SumoBestLane()
|
| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/test/geoopt_mp2froz/result/ |
| H A D | geoopt_mp2froz_c6h6_sto-3g_sym.out | 766 ** Automatic occupation of RHF orbitals **
769 -- Initial occupation of symmetries is :
787 Automatic occupation of symmetries with 42 electrons.
908 Natural orbital occupation numbers, symmetry 1 (irrep Ag )
914 Natural orbital occupation numbers, symmetry 2 (irrep B3u)
920 Natural orbital occupation numbers, symmetry 3 (irrep B2u)
926 Natural orbital occupation numbers, symmetry 4 (irrep B1g)
932 Natural orbital occupation numbers, symmetry 5 (irrep B1u)
937 Natural orbital occupation numbers, symmetry 6 (irrep B2g)
942 Natural orbital occupation numbers, symmetry 7 (irrep B3g)
[all …]
|
| /dports/science/qwalk/mainline-1.0.1-300-g1b7e381/src/wavefunction/ |
| H A D | clark_updates.cpp | 22 void Excitation_list::build_excitation_list(Array3 <Array1 <int> > & occupation,int f) { //(functio… in build_excitation_list() argument
23 int ndet=occupation.GetDim(1); in build_excitation_list()
24 int ns=occupation.GetDim(2); in build_excitation_list()
26 for(int s=0; s< ns; s++) nspin(s)=occupation(0,0,s).GetDim(0); in build_excitation_list()
37 int o1=occupation(0,base,s)(e1); in build_excitation_list()
40 if(occupation(0,d,s)(e2)==o1) { in build_excitation_list()
46 int o2=occupation(0,d,s)(e1); in build_excitation_list()
49 if(occupation(0,base,s)(e2)==o2) { in build_excitation_list()
68 Array1<int> newocc=occupation(0,base,s); in build_excitation_list()
80 if(occupation(0,d,s)(e2) < occupation(0,d,s)(e1)) count--; in build_excitation_list()
|
| /dports/x11-wm/ctwm/ctwm-4.0.3/client/ |
| H A D | demolib.c | 18 char **wlist, **wl, **occupation; in main() local
82 occupation = calloc(3, sizeof(char *)); in main()
83 occupation [0] = awspc1; in main()
84 occupation [1] = awspc2; in main()
85 occupation [2] = NULL; in main()
86 status = CtwmSetOccupation(dpy, awindow, occupation); in main()
|
| /dports/finance/R-cran-AER/AER/man/ |
| H A D | Affairs.Rd | 33 \item{occupation}{numeric variable coding occupation according to Hollingshead classification
61 fm_ols <- lm(affairs ~ age + yearsmarried + religiousness + occupation + rating,
63 fm_probit <- glm(I(affairs > 0) ~ age + yearsmarried + religiousness + occupation + rating,
66 fm_tobit <- tobit(affairs ~ age + yearsmarried + religiousness + occupation + rating,
68 fm_tobit2 <- tobit(affairs ~ age + yearsmarried + religiousness + occupation + rating,
71 fm_pois <- glm(affairs ~ age + yearsmarried + religiousness + occupation + rating,
75 fm_nb <- glm.nb(affairs ~ age + yearsmarried + religiousness + occupation + rating,
80 fm_zip <- zeroinfl(affairs ~ age + yearsmarried + religiousness + occupation + rating | age +
81 yearsmarried + religiousness + occupation + rating, data = Affairs)
|
| /dports/x11-wm/ctwm/ctwm-4.0.3/ |
| H A D | occupation.c | 100 twm_win->occupation = 0; in SetupOccupation()
111 twm_win->occupation = fullOccupation; in SetupOccupation()
154 if(twm_win->occupation == 0) { in SetupOccupation()
176 twm_win->occupation = t->occupation; in SetupOccupation()
182 twm_win->occupation = t->occupation; in SetupOccupation()
806 tmp_win->occupation = 0; in CreateOccupyWindow()
1039 occupyW->twm_win->occupation = 0; in OccupyHandleButtonEvent()
1047 occupyW->twm_win->occupation = 0; in OccupyHandleButtonEvent()
1115 occupy_twm->occupation = twm_win->occupation; in Occupy()
1517 return (mask | win->occupation); in GetMaskFromResource()
[all …]
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xtb_types.F | 65 INTEGER, DIMENSION(5) :: occupation ! occupation of shell i component
118 xtb_parameter%occupation = 0
178 hen, zeta, occupation, electronegativity, chmax) argument
193 INTEGER, DIMENSION(5), INTENT(OUT), OPTIONAL :: occupation local
223 IF (PRESENT(occupation)) occupation = xtb_parameter%occupation
264 hen, zeta, electronegativity, occupation, chmax) argument
279 INTEGER, DIMENSION(5), INTENT(IN), OPTIONAL :: occupation local
308 IF (PRESENT(occupation)) xtb_parameter%occupation = occupation
332 INTEGER, DIMENSION(5) :: lval, nval, occupation local
350 … CALL get_xtb_atom_param(xtb_parameter, nshell=nshell, lval=lval, nval=nval, occupation=occupation)
[all …]
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xtb_types.F | 65 INTEGER, DIMENSION(5) :: occupation ! occupation of shell i component
118 xtb_parameter%occupation = 0
178 hen, zeta, occupation, electronegativity, chmax) argument
193 INTEGER, DIMENSION(5), INTENT(OUT), OPTIONAL :: occupation local
223 IF (PRESENT(occupation)) occupation = xtb_parameter%occupation
264 hen, zeta, electronegativity, occupation, chmax) argument
279 INTEGER, DIMENSION(5), INTENT(IN), OPTIONAL :: occupation local
308 IF (PRESENT(occupation)) xtb_parameter%occupation = occupation
332 INTEGER, DIMENSION(5) :: lval, nval, occupation local
350 … CALL get_xtb_atom_param(xtb_parameter, nshell=nshell, lval=lval, nval=nval, occupation=occupation)
[all …]
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/epw_trev_uspp/ |
| H A D | benchmark.out.git.inp=nscf.in.args=1 | 596 occupation numbers
603 occupation numbers
610 occupation numbers
617 occupation numbers
624 occupation numbers
631 occupation numbers
638 occupation numbers
645 occupation numbers
652 occupation numbers
659 occupation numbers
[all …]
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/epw_super/ |
| H A D | benchmark.out.git.inp=scf.in.args=1 | 588 occupation numbers
595 occupation numbers
602 occupation numbers
609 occupation numbers
616 occupation numbers
623 occupation numbers
630 occupation numbers
637 occupation numbers
644 occupation numbers
651 occupation numbers
[all …]
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/PP/examples/BGW_example/references/ |
| H A D | si.scf.out | 805 occupation numbers
820 occupation numbers
835 occupation numbers
850 occupation numbers
865 occupation numbers
880 occupation numbers
895 occupation numbers
910 occupation numbers
925 occupation numbers
940 occupation numbers
[all …]
|
| /dports/www/p5-HTML-FormHandler/HTML-FormHandler-0.40068/t/repeatable/ |
| H A D | num_extra.t | 11 has_field 'occupation';
20 occupation => "Unemployed",
27 is_deeply( $form->value, { employers => [], user_name => 'No Employer', occupation => 'Unemployed' …
38 'occupation' => 'Unemployed',
45 occupation => 'Flaneur',
55 'occupation' => 'Flaneur',
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/epw_trev_paw/ |
| H A D | benchmark.out.git.inp=nscf.in.args=1 | 602 occupation numbers
609 occupation numbers
616 occupation numbers
623 occupation numbers
630 occupation numbers
637 occupation numbers
644 occupation numbers
651 occupation numbers
658 occupation numbers
665 occupation numbers
[all …]
|