Lines Matching refs:orbspin
115 integer orbspin(8) local
201 orbspin(1) = int_mb(k_spin+p5b-1)-1
202 orbspin(2) = int_mb(k_spin+h6b-1)-1
204 orbindex(1) = (1 - orbspin(1)+
206 orbindex(2) = (1 - orbspin(2)+
209 orbindex(1) = moindexes(orbindex(1),orbspin(1)+1,iref)
210 orbindex(2) = moindexes(orbindex(2),orbspin(2)+1,iref)
214 if(isactive(orbindex(1),orbspin(1)+1).and.
215 1 isactive(orbindex(2),orbspin(2)+1).or.(.not.limprovet)) then
232 if(iocc(orbindex(1),iref,orbspin(1)+1).eq.
233 1 iocc(orbindex(2),iref,orbspin(2)+1)) then
237 ioccnew(orbindex(1),orbspin(1)+1) = iocc(orbindex(2),iref,
238 1 orbspin(2)+1)
239 ioccnew(orbindex(2),orbspin(2)+1) = iocc(orbindex(1),iref,
240 1 orbspin(1)+1)
267 if(iocc(i1+1,iref,orbspin(1)+1).eq.1) then
378 orbspin(1) = int_mb(k_spin+p1b-1)-1
379 orbspin(2) = int_mb(k_spin+p2b-1)-1
380 orbspin(3) = int_mb(k_spin+h3b-1)-1
381 orbspin(4) = int_mb(k_spin+h4b-1)-1
383 orbindex(1) = (1 - orbspin(1)+
385 orbindex(2) = (1 - orbspin(2)+
387 orbindex(3) = (1 - orbspin(3)+
389 orbindex(4) = (1 - orbspin(4)+
392 orbindex(1) = moindexes(orbindex(1),orbspin(1)+1,iref)
393 orbindex(2) = moindexes(orbindex(2),orbspin(2)+1,iref)
394 orbindex(3) = moindexes(orbindex(3),orbspin(3)+1,iref)
395 orbindex(4) = moindexes(orbindex(4),orbspin(4)+1,iref)
399 if(isactive(orbindex(1),orbspin(1)+1).and.
400 1 isactive(orbindex(2),orbspin(2)+1).and.
401 2 isactive(orbindex(3),orbspin(3)+1).and.
402 3 isactive(orbindex(4),orbspin(4)+1).or.(.not.limprovet)) then
415 if(((orbindex(1).eq.orbindex(2)).and.(orbspin(1).eq.orbspin(2)))
416 1 .or.((orbindex(3).eq.orbindex(4)).and.(orbspin(3).eq.
417 2 orbspin(4)))) then
421 ioccnew(orbindex(1),orbspin(1)+1) = iocc(orbindex(3),iref,
422 1 orbspin(3)+1)
423 ioccnew(orbindex(2),orbspin(2)+1) = iocc(orbindex(4),iref,
424 1 orbspin(4)+1)
425 ioccnew(orbindex(3),orbspin(3)+1) = iocc(orbindex(1),iref,
426 1 orbspin(1)+1)
427 ioccnew(orbindex(4),orbspin(4)+1) = iocc(orbindex(2),iref,
428 1 orbspin(2)+1)
454 if(iocc(i1+1,iref,orbspin(1)+1).eq.1) then
460 ioccnew(orbindex(1),orbspin(1)+1) = iocc(orbindex(3),iref,
461 1 orbspin(3)+1)
462 ioccnew(orbindex(3),orbspin(3)+1) = iocc(orbindex(1),iref,
463 1 orbspin(1)+1)
470 if(ioccnew(i1+1,orbspin(2)+1).eq.1) then
580 orbspin(1) = int_mb(k_spin+p4b-1)-1
581 orbspin(2) = int_mb(k_spin+p5b-1)-1
582 orbspin(3) = int_mb(k_spin+p6b-1)-1
583 orbspin(4) = int_mb(k_spin+h1b-1)-1
584 orbspin(5) = int_mb(k_spin+h2b-1)-1
585 orbspin(6) = int_mb(k_spin+h3b-1)-1
596 orbindex(1) = (1 - orbspin(1)+
598 orbindex(2) = (1 - orbspin(2)+
600 orbindex(3) = (1 - orbspin(3)+
602 orbindex(4) = (1 - orbspin(4)+
604 orbindex(5) = (1 - orbspin(5)+
606 orbindex(6) = (1 - orbspin(6)+
609 orbindex(1) = moindexes(orbindex(1),orbspin(1)+1,iref)
610 orbindex(2) = moindexes(orbindex(2),orbspin(2)+1,iref)
611 orbindex(3) = moindexes(orbindex(3),orbspin(3)+1,iref)
612 orbindex(4) = moindexes(orbindex(4),orbspin(4)+1,iref)
613 orbindex(5) = moindexes(orbindex(5),orbspin(5)+1,iref)
614 orbindex(6) = moindexes(orbindex(6),orbspin(6)+1,iref)
628 if((iocc(orbindex(1),iref,orbspin(1)+1).eq.
629 1 iocc(orbindex(4),iref,orbspin(4)+1)).or.
630 2 (iocc(orbindex(2),iref,orbspin(2)+1).eq.
631 3 iocc(orbindex(5),iref,orbspin(5)+1)).or.
632 4 (iocc(orbindex(3),iref,orbspin(3)+1).eq.
633 1 iocc(orbindex(6),iref,orbspin(6)+1))) then
637 if((orbspin(1).ne.orbspin(4)).or.
638 1 (orbspin(2).ne.orbspin(5)).or.
639 2 (orbspin(3).ne.orbspin(6))) then
644 1 ((orbindex(1).eq.orbindex(2)).and.(orbspin(1).eq.orbspin(2))).or.
645 1 ((orbindex(1).eq.orbindex(3)).and.(orbspin(1).eq.orbspin(3))).or.
646 1 ((orbindex(2).eq.orbindex(3)).and.(orbspin(2).eq.orbspin(3))).or.
647 1 ((orbindex(4).eq.orbindex(5)).and.(orbspin(4).eq.orbspin(5))).or.
648 1 ((orbindex(4).eq.orbindex(6)).and.(orbspin(4).eq.orbspin(6))).or.
649 1 ((orbindex(5).eq.orbindex(6)).and.(orbspin(5).eq.orbspin(6)))
654 ioccnew(orbindex(1),orbspin(1)+1) = iocc(orbindex(4),iref,
655 1 orbspin(4)+1)
656 ioccnew(orbindex(2),orbspin(2)+1) = iocc(orbindex(5),iref,
657 1 orbspin(5)+1)
658 ioccnew(orbindex(3),orbspin(3)+1) = iocc(orbindex(6),iref,
659 1 orbspin(6)+1)
660 ioccnew(orbindex(4),orbspin(4)+1) = iocc(orbindex(1),iref,
661 1 orbspin(1)+1)
662 ioccnew(orbindex(5),orbspin(5)+1) = iocc(orbindex(2),iref,
663 1 orbspin(2)+1)
664 ioccnew(orbindex(6),orbspin(6)+1) = iocc(orbindex(3),iref,
665 1 orbspin(3)+1)
692 if(iocc(i1+1,iref,orbspin(1)+1).eq.1) then
698 ioccnew(orbindex(1),orbspin(1)+1) = iocc(orbindex(4),iref,
699 1 orbspin(4)+1)
700 ioccnew(orbindex(4),orbspin(4)+1) = iocc(orbindex(1),iref,
701 1 orbspin(1)+1)
708 if(ioccnew(i1+1,orbspin(5)+1).eq.1) then
714 ioccnew(orbindex(2),orbspin(2)+1) = iocc(orbindex(5),iref,
715 1 orbspin(5)+1)
716 ioccnew(orbindex(5),orbspin(5)+1) = iocc(orbindex(2),iref,
717 1 orbspin(2)+1)
724 if(ioccnew(i1+1,orbspin(6)+1).eq.1) then
822 orbspin(1) = int_mb(k_spin+p5b-1)-1
823 orbspin(2) = int_mb(k_spin+p6b-1)-1
824 orbspin(3) = int_mb(k_spin+p7b-1)-1
825 orbspin(4) = int_mb(k_spin+p8b-1)-1
826 orbspin(5) = int_mb(k_spin+h1b-1)-1
827 orbspin(6) = int_mb(k_spin+h2b-1)-1
828 orbspin(7) = int_mb(k_spin+h3b-1)-1
829 orbspin(8) = int_mb(k_spin+h4b-1)-1
842 orbindex(1) = (1 - orbspin(1)+
844 orbindex(2) = (1 - orbspin(2)+
846 orbindex(3) = (1 - orbspin(3)+
848 orbindex(4) = (1 - orbspin(4)+
850 orbindex(5) = (1 - orbspin(5)+
852 orbindex(6) = (1 - orbspin(6)+
854 orbindex(7) = (1 - orbspin(7)+
856 orbindex(8) = (1 - orbspin(8)+
859 orbindex(1) = moindexes(orbindex(1),orbspin(1)+1,iref)
860 orbindex(2) = moindexes(orbindex(2),orbspin(2)+1,iref)
861 orbindex(3) = moindexes(orbindex(3),orbspin(3)+1,iref)
862 orbindex(4) = moindexes(orbindex(4),orbspin(4)+1,iref)
863 orbindex(5) = moindexes(orbindex(5),orbspin(5)+1,iref)
864 orbindex(6) = moindexes(orbindex(6),orbspin(6)+1,iref)
865 orbindex(7) = moindexes(orbindex(7),orbspin(7)+1,iref)
866 orbindex(8) = moindexes(orbindex(8),orbspin(8)+1,iref)
874 if((iocc(orbindex(1),iref,orbspin(1)+1).eq.
875 1 iocc(orbindex(5),iref,orbspin(5)+1)).or.
876 2 (iocc(orbindex(2),iref,orbspin(2)+1).eq.
877 3 iocc(orbindex(6),iref,orbspin(6)+1)).or.
878 4 (iocc(orbindex(3),iref,orbspin(3)+1).eq.
879 1 iocc(orbindex(7),iref,orbspin(7)+1)).or.
880 2 (iocc(orbindex(4),iref,orbspin(4)+1).eq.
881 3 iocc(orbindex(8),iref,orbspin(8)+1))) then
885 if((orbspin(1).ne.orbspin(5)).or.
886 1 (orbspin(2).ne.orbspin(6)).or.
887 2 (orbspin(3).ne.orbspin(7)).or.
888 3 (orbspin(4).ne.orbspin(8))) then
893 1 ((orbindex(1).eq.orbindex(2)).and.(orbspin(1).eq.orbspin(2))).or.
894 1 ((orbindex(1).eq.orbindex(3)).and.(orbspin(1).eq.orbspin(3))).or.
895 1 ((orbindex(1).eq.orbindex(4)).and.(orbspin(1).eq.orbspin(4))).or.
896 1 ((orbindex(2).eq.orbindex(3)).and.(orbspin(2).eq.orbspin(3))).or.
897 1 ((orbindex(2).eq.orbindex(4)).and.(orbspin(2).eq.orbspin(4))).or.
898 1 ((orbindex(3).eq.orbindex(4)).and.(orbspin(3).eq.orbspin(4))).or.
899 1 ((orbindex(5).eq.orbindex(6)).and.(orbspin(5).eq.orbspin(6))).or.
900 1 ((orbindex(5).eq.orbindex(7)).and.(orbspin(5).eq.orbspin(7))).or.
901 1 ((orbindex(5).eq.orbindex(8)).and.(orbspin(5).eq.orbspin(8))).or.
902 1 ((orbindex(6).eq.orbindex(7)).and.(orbspin(6).eq.orbspin(7))).or.
903 1 ((orbindex(6).eq.orbindex(8)).and.(orbspin(6).eq.orbspin(8))).or.
904 1 ((orbindex(7).eq.orbindex(8)).and.(orbspin(7).eq.orbspin(8)))
909 ioccnew(orbindex(1),orbspin(1)+1) = iocc(orbindex(5),iref,
910 1 orbspin(5)+1)
911 ioccnew(orbindex(2),orbspin(2)+1) = iocc(orbindex(6),iref,
912 1 orbspin(6)+1)
913 ioccnew(orbindex(3),orbspin(3)+1) = iocc(orbindex(7),iref,
914 1 orbspin(7)+1)
915 ioccnew(orbindex(4),orbspin(4)+1) = iocc(orbindex(8),iref,
916 1 orbspin(8)+1)
917 ioccnew(orbindex(5),orbspin(5)+1) = iocc(orbindex(1),iref,
918 1 orbspin(1)+1)
919 ioccnew(orbindex(6),orbspin(6)+1) = iocc(orbindex(2),iref,
920 1 orbspin(2)+1)
921 ioccnew(orbindex(7),orbspin(7)+1) = iocc(orbindex(3),iref,
922 1 orbspin(3)+1)
923 ioccnew(orbindex(8),orbspin(8)+1) = iocc(orbindex(4),iref,
924 1 orbspin(4)+1)
950 if(iocc(i1+1,iref,orbspin(1)+1).eq.1) then
956 ioccnew(orbindex(1),orbspin(1)+1) = iocc(orbindex(5),iref,
957 1 orbspin(5)+1)
958 ioccnew(orbindex(5),orbspin(5)+1) = iocc(orbindex(1),iref,
959 1 orbspin(1)+1)
966 if(iocc(i1+1,iref,orbspin(2)+1).eq.1) then
972 ioccnew(orbindex(2),orbspin(2)+1) = iocc(orbindex(6),iref,
973 1 orbspin(6)+1)
974 ioccnew(orbindex(6),orbspin(6)+1) = iocc(orbindex(2),iref,
975 1 orbspin(2)+1)
982 if(iocc(i1+1,iref,orbspin(3)+1).eq.1) then
988 ioccnew(orbindex(3),orbspin(3)+1) = iocc(orbindex(7),iref,
989 1 orbspin(7)+1)
990 ioccnew(orbindex(7),orbspin(7)+1) = iocc(orbindex(3),iref,
991 1 orbspin(3)+1)
998 if(iocc(i1+1,iref,orbspin(4)+1).eq.1) then
1499 integer orbindex(6),orbspin(6) local
1561 orbspin(1) = int_mb(k_spin+p5b-1)-1
1562 orbspin(2) = int_mb(k_spin+h6b-1)-1
1564 orbindex(1) = (1 - orbspin(1)+
1566 orbindex(2) = (1 - orbspin(2)+
1569 orbindex(1) = moindexes(orbindex(1),orbspin(1)+1,iref)
1570 orbindex(2) = moindexes(orbindex(2),orbspin(2)+1,iref)
1572 if(isactive(orbindex(1),orbspin(1)+1).and.
1573 1 isactive(orbindex(2),orbspin(2)+1).or.(.not.limprovet)) then
1660 orbspin(1) = int_mb(k_spin+p1b-1)-1
1661 orbspin(2) = int_mb(k_spin+p2b-1)-1
1662 orbspin(3) = int_mb(k_spin+h3b-1)-1
1663 orbspin(4) = int_mb(k_spin+h4b-1)-1
1665 orbindex(1) = (1 - orbspin(1)+
1667 orbindex(2) = (1 - orbspin(2)+
1669 orbindex(3) = (1 - orbspin(3)+
1671 orbindex(4) = (1 - orbspin(4)+
1674 orbindex(1) = moindexes(orbindex(1),orbspin(1)+1,iref)
1675 orbindex(2) = moindexes(orbindex(2),orbspin(2)+1,iref)
1676 orbindex(3) = moindexes(orbindex(3),orbspin(3)+1,iref)
1677 orbindex(4) = moindexes(orbindex(4),orbspin(4)+1,iref)
1679 if(isactive(orbindex(1),orbspin(1)+1).and.
1680 1 isactive(orbindex(2),orbspin(2)+1).and.
1681 2 isactive(orbindex(3),orbspin(3)+1).and.
1682 3 isactive(orbindex(4),orbspin(4)+1).or.(.not.limprovet)) then