- Timestamp:
- 09/24/08 15:27:04 (16 years ago)
- Branches:
- master
- Children:
- ba939c7
- Parents:
- c076b43
- File:
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- 1 edited
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enylun.f
rc076b43 r4fd4338 347 347 do iat1=iatrs1(irsml1(iml)),iatrs2(irsml2(iml)) 348 348 do iat2=iat1+1,iatrs2(irsml2(iml)) 349 if ((iat2-iat1.le.mxconr).and. 350 & matcon(iat2-iat1,iat1).eq.2) then 351 ilp=ilp+1 352 lcp1(ilp)=iat1 353 lcp2(ilp)=iat2 349 if (iat2-iat1.le.mxconr) then 350 if (matcon(iat2-iat1,iat1).eq.2) then 351 ilp=ilp+1 352 lcp1(ilp)=iat1 353 lcp2(ilp)=iat2 354 endif 354 355 endif 355 356 enddo … … 368 369 enddo 369 370 enddo 370 371 371 print *,'finished initializing Lund force field' 372 372 end … … 634 634 dimension icell(mxat) 635 635 integer :: jx1, jy1, jz1 636 logical doit 636 637 637 638 if (nml.eq.0) then … … 883 884 884 885 if (r2.le.exvcutg2) then 885 if (abs(iat2-iat1).gt.mxconr.or. 886 & matcon(iat2-iat1,iat1).eq.1) then 886 doit=.false. 887 if (abs(iat2-iat1).gt.mxconr ) then 888 doit=.true. 889 else if (matcon(iat2-iat1,iat1).eq.1) then 890 doit=.true. 891 endif 892 if (doit) then 887 893 iatt1=ityat(iat1) 888 894 iatt2=ityat(iat2)
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