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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 1.7 2003-04-01 16:50:14 chuckv Exp $, $Date: 2003-04-01 16:50:14 $, $Name: not supported by cvs2svn $, $Revision: 1.7 $ |
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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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module do_Forces |
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use force_globals |
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!! save current configuration, construct neighbor list, |
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!! and calculate forces |
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< |
call saveNeighborList(q) |
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> |
call saveNeighborList(nlocal, q) |
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neighborListSize = size(list) |
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nlist = 0 |
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! save current configuration, contruct neighbor list, |
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! and calculate forces |
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< |
call saveNeighborList(q) |
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call saveNeighborList(natoms, q) |
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neighborListSize = size(list) |
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if ( is_DP_i .and. is_DP_j ) then |
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call do_dipole_pair(i, j, d, r, rijsq, pot, u_l, f, t, & |
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call do_dipole_pair(natoms,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) |
