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!! @author Charles F. Vardeman II |
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!! @author Matthew Meineke |
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!! @version $Id: do_Forces.F90,v 1.8 2003-04-04 19:57:01 mmeineke Exp $, $Date: 2003-04-04 19:57:01 $, $Name: not supported by cvs2svn $, $Revision: 1.8 $ |
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!! @version $Id: do_Forces.F90,v 1.10 2003-04-05 02:56:27 gezelter Exp $, $Date: 2003-04-05 02:56:27 $, $Name: not supported by cvs2svn $, $Revision: 1.10 $ |
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module do_Forces |
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use force_globals |
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subroutine do_pair(i, j, rijsq, d, do_pot, do_stress, u_l, A, f, t, pot) |
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real( kind = dp ) :: pot |
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real( kind = dp ), dimension(:,:) :: u_l |
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real (kind=dp), dimension(:,:) :: A |
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real (kind=dp), dimension(:,:) :: f |
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real (kind=dp), dimension(:,:) :: t |
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real( kind = dp ), dimension(3,getNlocal()) :: u_l |
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real (kind=dp), dimension(9,getNlocal()) :: A |
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real (kind=dp), dimension(3,getNlocal()) :: f |
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real (kind=dp), dimension(3,getNlocal()) :: t |
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logical, intent(inout) :: do_pot, do_stress |
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integer, intent(in) :: i, j |
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if ( is_DP_i .and. is_DP_j ) then |
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call do_dipole_pair(natoms,i, j, d, r, rijsq, pot, u_l, f, t, & |
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call do_dipole_pair(i, j, d, r, rijsq, pot, u_l, f, t, & |
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do_pot, do_stress) |
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if (FF_uses_RF .and. SimUsesRF()) then |
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call accumulate_rf(i, j, r, u_l) |