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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 1.11 2003-03-11 23:13:06 gezelter Exp $, $Date: 2003-03-11 23:13:06 $, $Name: not supported by cvs2svn $, $Revision: 1.11 $ |
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> |
!! @version $Id: do_Forces.F90,v 1.12 2003-03-12 15:39:01 gezelter Exp $, $Date: 2003-03-12 15:39:01 $, $Name: not supported by cvs2svn $, $Revision: 1.12 $ |
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call getElementProperty(atypes, me_i, "is_LJ", is_LJ_i) |
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call getElementProperty(atypes, me_j, "is_LJ", is_LJ_j) |
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< |
if ( is_LJ_i .and. is_LJ_j ) call do_lj_pair(i, j, d, r, pot, f) |
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> |
if ( is_LJ_i .and. is_LJ_j ) call do_lj_pair(i, j, d, r, rijsq, pot, f) |
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call getElementProperty(atypes, me_i, "is_DP", is_DP_i) |
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call getElementProperty(atypes, me_j, "is_DP", is_DP_j) |
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call do_dipole_pair(i, j, d, r, pot, u_l, f, t) |
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if (do_reaction_field) then |
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< |
call accumulate_rf(i, j, r_ij) |
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> |
call accumulate_rf(i, j, r) |
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endif |
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endif |
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call getElementProperty(atypes, me_j, "is_Sticky", is_Sticky_j) |
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if ( is_Sticky_i .and. is_Sticky_j ) then |
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< |
call do_sticky_pair(i, j, d, r, pot, u_l, f, t) |
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> |
call do_sticky_pair(i, j, d, r, rijsq, A, pot, f, t) |
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endif |
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