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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 1.70 2005-12-08 22:04:40 gezelter Exp $, $Date: 2005-12-08 22:04:40 $, $Name: not supported by cvs2svn $, $Revision: 1.70 $ |
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!! @version $Id: doForces.F90,v 1.71 2005-12-15 21:43:16 gezelter Exp $, $Date: 2005-12-15 21:43:16 $, $Name: not supported by cvs2svn $, $Revision: 1.71 $ |
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module doForces |
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groupMaxCutoffRow(i)=atypeMaxCutoff(me_i) |
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endif |
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enddo |
439 |
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if (nGroupTypesRow.eq.0) then |
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nGroupTypesRow = nGroupTypesRow + 1 |
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gtypeMaxCutoffRow(nGroupTypesRow) = groupMaxCutoffRow(i) |
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579 |
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localError = 0 |
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call setLJDefaultCutoff( defaultRcut, defaultDoShift ) |
581 |
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call setElectrostaticCutoffRadius( defaultRcut, defaultRsw ) |
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call setCutoffEAM( defaultRcut, localError) |
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if (localError /= 0) then |
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write(errMsg, *) 'An error has occured in setting the EAM cutoff' |
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call handleError("setCutoffs", errMsg) |
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end if |
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call set_switch(GROUP_SWITCH, defaultRsw, defaultRcut) |
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haveDefaultCutoffs = .true. |
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haveGtypeCutoffMap = .false. |
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end subroutine setCutoffs |
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subroutine cWasLame() |
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cutoffPolicy = cutPolicy |
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haveCutoffPolicy = .true. |
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write(*,*) 'have cutoffPolicy in F = ', cutPolicy |
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607 |
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call createGtypeCutoffMap() |
606 |
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haveGtypeCutoffMap = .false. |
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end subroutine setCutoffPolicy |
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real(kind=dp), intent(in) :: thisSkin |
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skinThickness = thisSkin |
624 |
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haveSkinThickness = .true. |
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627 |
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call createGtypeCutoffMap() |
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haveSkinThickness = .true. |
625 |
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haveGtypeCutoffMap = .false. |
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end subroutine setSkinThickness |
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