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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 1.64 2005-11-01 19:09:23 chrisfen Exp $, $Date: 2005-11-01 19:09:23 $, $Name: not supported by cvs2svn $, $Revision: 1.64 $ |
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!! @version $Id: doForces.F90,v 1.65 2005-11-01 19:24:54 chrisfen Exp $, $Date: 2005-11-01 19:24:54 $, $Name: not supported by cvs2svn $, $Revision: 1.65 $ |
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module doForces |
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subroutine do_pair(i, j, rijsq, d, sw, do_pot, & |
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eFrame, A, f, t, pot, vpair, fpair, d_grp, r_grp) |
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!!$ subroutine do_pair(i, j, rijsq, d, sw, do_pot, & |
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!!$ eFrame, A, f, t, pot, vpair, fpair, d_grp, r_grp, felec) |
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real( kind = dp ) :: vpair, sw |
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real( kind = dp ), dimension(LR_POT_TYPES) :: pot |
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real( kind = dp ), dimension(3) :: fpair |
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real( kind = dp ), dimension(3) :: felec |
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real( kind = dp ), dimension(nLocal) :: mfact |
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real( kind = dp ), dimension(9,nLocal) :: eFrame |
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real( kind = dp ), dimension(9,nLocal) :: A |
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if ( iand(iHash, ELECTROSTATIC_PAIR).ne.0 ) then |
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call doElectrostaticPair(i, j, d, r, rijsq, sw, vpair, fpair, & |
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pot(ELECTROSTATIC_POT), eFrame, f, t, do_pot) |
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!!$ call doElectrostaticPair(i, j, d, r, rijsq, sw, vpair, fpair, & |
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!!$ pot(ELECTROSTATIC_POT), eFrame, f, t, do_pot, felec) |
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endif |
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if ( iand(iHash, STICKY_PAIR).ne.0 ) then |
