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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 1.17 2005-05-17 22:35:01 chrisfen Exp $, $Date: 2005-05-17 22:35:01 $, $Name: not supported by cvs2svn $, $Revision: 1.17 $ |
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!! @version $Id: doForces.F90,v 1.18 2005-05-18 18:31:40 chrisfen Exp $, $Date: 2005-05-18 18:31:40 $, $Name: not supported by cvs2svn $, $Revision: 1.18 $ |
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module doForces |
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real ( kind = dp ), intent(inout) :: rijsq |
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real ( kind = dp ) :: r |
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real ( kind = dp ), intent(inout) :: d(3) |
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real ( kind = dp ) :: ebalance |
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integer :: me_i, me_j |
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r = sqrt(rijsq) |
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if (PropertyMap(me_i)%is_Electrostatic .and. & |
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PropertyMap(me_j)%is_Electrostatic) then |
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call doElectrostaticPair(i, j, d, r, rijsq, sw, vpair, fpair, & |
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pot, eFrame, f, t, do_pot) |
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pot, eFrame, f, t, do_pot, ebalance) |
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endif |
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if (FF_uses_dipoles .and. SIM_uses_dipoles) then |
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if ( PropertyMap(me_i)%is_StickyPower .and. & |
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PropertyMap(me_j)%is_StickyPower) then |
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call do_sticky_power_pair(i, j, d, r, rijsq, sw, vpair, fpair, & |
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pot, A, f, t, do_pot) |
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pot, A, f, t, do_pot, ebalance) |
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endif |
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endif |
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