485. 1-----< do i=1,maxi
486. 1 xi = x(3*i-2)
487. 1 yi = x(3*i-1)
488. 1 zi = x(3*i )
489. 1 qi = charge(i)
490. 1 if( igb.eq.1 ) then
491. 1 qid = dielfac * qi
492. 1 ri = reff(i)
493. 1 endif
494. 1 iaci = ntypes * (iac(i) - 1)
495. 1 jexcl = iexcl
496. 1 jexcl_last = iexcl + numex(i) -1
497. 1 nexcl = natex( jexcl )
498. 1 if( jexcl .gt. jexcl_last ) nexcl = 0
499. 1 dumx = 0.0d0
500. 1 dumy = 0.0d0
501. 1 dumz = 0.0d0
502. 1 c
503. 1 cdir$ ivdep
504. 1 2---< do 200 j=i+1,natom
505. 1 2 c
506. 1 2 c -- check the exclusion list for eel and vdw:
507. 1 2 c
508. 1 2 skip = .false.
509. 1 2 if( j .eq. nexcl ) then
510. 1 2 skip = .true.
511. 1 2 jexcl = jexcl + 1
512. 1 2 nexcl = natex( jexcl )
513. 1 2 if( jexcl .gt. jexcl_last ) nexcl = 0
514. 1 2 endif
515. 1 2 c
516. 1 2 de = 0.0
517. 1 2 c
518. 1 2 xij = xi - x(3*j-2)
Several recurrences
within the loop
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