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!! @author Charles F. Vardeman II |
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!! @author Matthew Meineke |
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< |
!! @version $Id: doForces.F90,v 1.95 2008-09-10 17:57:55 gezelter Exp $, $Date: 2008-09-10 17:57:55 $, $Name: not supported by cvs2svn $, $Revision: 1.95 $ |
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> |
!! @version $Id: doForces.F90,v 1.96 2008-09-10 19:40:06 cli2 Exp $, $Date: 2008-09-10 19:40:06 $, $Name: not supported by cvs2svn $, $Revision: 1.96 $ |
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module doForces |
| 1481 |
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#endif |
| 1482 |
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| 1483 |
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iHash = InteractionHash(me_i, me_j) |
| 1484 |
+ |
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| 1485 |
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vdwMult = vdwScale(topoDist) |
| 1486 |
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electroMult = electrostaticScale(topoDist) |
| 1487 |
< |
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| 1487 |
> |
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| 1488 |
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if ( iand(iHash, LJ_PAIR).ne.0 ) then |
| 1489 |
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call do_lj_pair(i, j, d, r, rijsq, rcut, sw, vdwMult, vpair, fpair, & |
| 1490 |
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pot(VDW_POT), f, do_pot) |
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pot(VDW_POT), A, f, t, do_pot) |
| 1541 |
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endif |
| 1542 |
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| 1542 |
– |
|
| 1543 |
– |
if (topoDist .ne. 0) then |
| 1544 |
– |
write(*,*) i, j, vpair, fpair(1), fpair(2), fpair(3) |
| 1545 |
– |
endif |
| 1546 |
– |
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| 1543 |
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end subroutine do_pair |
| 1544 |
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| 1545 |
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subroutine do_prepair(i, j, rijsq, d, sw, rcijsq, dc, rCut, & |
