| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/src/ |
| H A D | gen1int.F90 | 91 integer :: order_mag_bra = 0 component
324 subroutine OnePropSetMag(one_prop, order_mag, order_mag_bra, order_mag_ket) argument
327 integer, optional, intent(in) :: order_mag_bra local
335 if (present(order_mag_bra)) one_prop%order_mag_bra = max(0,order_mag_bra)
425 one_prop%order_mag_bra
479 if (one_prop%order_mag_bra>0) &
480 num_prop = num_prop*(one_prop%order_mag_bra+1)*(one_prop%order_mag_bra+2)/2
510 if (one_prop%order_mag_bra>0 .or. &
623 one_prop%order_mag_bra, one_prop%order_mag_ket, &
635 one_prop%order_mag_bra, one_prop%order_mag_ket, &
[all …]
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| H A D | gen1int_carmom.F90 | 277 integer, intent(in) :: order_mag_bra local
322 order_mag_bra, order_mag_ket, order_mag_total, &
508 integer, intent(in) :: order_mag_bra local
545 order_mag_bra, order_mag_ket, order_mag_total, &
623 integer, intent(in) :: order_mag_bra local
662 order_mag_bra, order_mag_ket, order_mag_total, &
835 integer, intent(in) :: order_mag_bra local
933 order_mag_bra=0, &
981 order_mag_bra=0, &
1043 order_mag_bra=0, &
[all …]
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| H A D | gen1int_onehamil.F90 | 196 order_mag_bra, order_mag_ket, order_mag_total, & argument
218 integer, intent(in) :: order_mag_bra local
255 order_mag_bra, order_mag_ket, order_mag_total, &
273 order_mag_bra, order_mag_ket, order_mag_total, &
283 order_mag_bra, order_mag_ket, order_mag_total, &
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| H A D | gen1int_geom.F90 | 917 integer, intent(in) :: order_mag_bra local
1005 ((order_mag_bra==1 .and. order_mag_ket==0) .or. &
1006 (order_mag_bra==0 .and. order_mag_ket==1)) .and. &
1010 order_mag_bra==0 .and. order_mag_ket==0 .and. &
1100 if (order_mag_bra==1 .and. order_mag_ket==0) then
1109 else if (order_mag_bra==0 .and. order_mag_ket==1) then
1492 integer, intent(in) :: order_mag_bra local
1692 if (order_mag_bra==1) then
2065 integer, intent(in) :: order_mag_bra local
2263 if (order_mag_bra==1 .and. order_mag_ket==0) then
[all …]
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| H A D | gen1int_nucpot.F90 | 287 order_mag_bra, order_mag_ket, order_mag_total, & argument
309 integer, intent(in) :: order_mag_bra local
353 order_mag_bra, order_mag_ket, order_mag_total, &
375 order_mag_bra, order_mag_ket, order_mag_total, &
567 order_mag_bra, order_mag_ket, order_mag_total, & argument
589 integer, intent(in) :: order_mag_bra local
637 order_mag_bra, order_mag_ket, order_mag_total, &
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| H A D | gen1int_gaupot.F90 | 272 order_mag_bra, order_mag_ket, order_mag_total, & argument
294 integer, intent(in) :: order_mag_bra local
339 order_mag_bra, order_mag_ket, order_mag_total, &
362 order_mag_bra, order_mag_ket, order_mag_total, &
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/gen1int/ |
| H A D | gen1int_host.F90 | 162 order_mag_bra, order_mag_ket, & argument
183 integer, intent(in) :: order_mag_bra local
240 order_mag_bra, order_mag_ket, &
354 order_mag_bra, order_mag_ket, & argument
376 integer, intent(in) :: order_mag_bra local
443 order_mag_bra, order_mag_ket, &
1410 order_mag_bra, order_mag_ket, & argument
1425 integer, intent(in) :: order_mag_bra local
1476 order_mag_bra, order_mag_ket, &
1508 integer order_mag_bra local
[all …]
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| H A D | gen1int_api.F90 | 616 order_mag_bra, order_mag_ket, & argument
630 integer, intent(in) :: order_mag_bra local
708 order_mag_bra=order_mag_bra, &
717 (order_mag_total>0 .or. order_mag_bra>0 .or. order_mag_ket>0 .or. &
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/include/ |
| H A D | one_prop.h | 34 QInt order_mag_bra; /* order of partial magnetic derivatives on bra center */ member
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/src/carmom/ |
| H A D | lcgto_zero_carmom.F90 | 58 order_mag_bra, order_mag_ket, order_mag_total, & argument
233 order_mag_bra, order_mag_ket, order_ram_bra, order_ram_ket, argument
254 integer, intent(in) :: order_mag_bra
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/pelib/src/interfaces/ |
| H A D | pelib_integral_interfaces.F90 | 201 order_mag_bra=0, &
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/doc/ |
| H A D | manual.tex | 1226 order_mag_bra, order_mag_ket, order_mag_total, &
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