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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 1.4 2003-03-24 21:55:34 gezelter Exp $, $Date: 2003-03-24 21:55:34 $, $Name: not supported by cvs2svn $, $Revision: 1.4 $ |
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!! @version $Id: do_Forces.F90,v 1.5 2003-03-31 21:50:59 chuckv Exp $, $Date: 2003-03-31 21:50:59 $, $Name: not supported by cvs2svn $, $Revision: 1.5 $ |
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module do_Forces |
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use force_globals |
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#ifdef IS_MPI |
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!!distribute forces |
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call scatter(f_Row,f,plan_row3d) |
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f_temp = 0.0_dp |
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call scatter(f_Row,f_temp,plan_row3d) |
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do i = 1,nlocal |
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f(1:3,i) = f(1:3,i) + f_temp(1:3,i) |
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end do |
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f_temp = 0.0_dp |
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call scatter(f_Col,f_temp,plan_col3d) |
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do i = 1,nlocal |
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f(1:3,i) = f(1:3,i) + f_temp(1:3,i) |
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end do |
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if (FF_UsesDirectionalAtoms() .and. SimUsesDirectionalAtoms()) then |
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call scatter(t_Row,t,plan_row3d) |
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t_temp = 0.0_dp |
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call scatter(t_Row,t_temp,plan_row3d) |
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do i = 1,nlocal |
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t(1:3,i) = t(1:3,i) + t_temp(1:3,i) |
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end do |
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t_temp = 0.0_dp |
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call scatter(t_Col,t_temp,plan_col3d) |
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do i = 1,nlocal |
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#ifdef IS_MPI |
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if (do_pot) then |
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write(*,*) "Fortran is on pot:, pot, pot_local ", pot,pot_local |
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pot = pot_local |
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!! we assume the c code will do the allreduce to get the total potential |
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!! we could do it right here if we needed to... |
