1 subroutine hfreord_pq(eri,scr,szp,szq) 2c $Id$ 3c 4c routine to reorder <Q,P> integrals to <P,Q> 5c 6 implicit none 7c 8 9 integer szp ! [input] size of P integral block (la2*lb2) 10 integer szq ! [input] size of Q integral block (lc2*ld2) 11 double precision scr(szp*szq) ! [input] <Q|P> integrals 12 double precision eri(szp*szq) ! [output] <P|Q> integrals 13c 14 integer ito, ifrom, i, j 15c 16c reorder p and q integrals 17c 18 ito = 0 19 do 00100 i = 1,szp 20 ifrom = i 21 do 00200 j = 1,szq 22 ito = ito + 1 23 eri(ito) = scr(ifrom) 24 ifrom = ifrom + szp 2500200 continue 2600100 continue 27 end 28