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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 1.16 2003-07-01 22:39:53 gezelter Exp $, $Date: 2003-07-01 22:39:53 $, $Name: not supported by cvs2svn $, $Revision: 1.16 $ |
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> |
!! @version $Id: do_Forces.F90,v 1.17 2003-07-02 21:26:55 mmeineke Exp $, $Date: 2003-07-02 21:26:55 $, $Name: not supported by cvs2svn $, $Revision: 1.17 $ |
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module do_Forces |
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use force_globals |
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if( .not.boxIsOrthorhombic ) then |
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! calc the scaled coordinates. |
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< |
scaled = matmul(d, HmatInv) |
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> |
scaled = matmul(HmatInv, d) |
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! wrap the scaled coordinates |
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< |
do i = 1, 3 |
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< |
scaled(i) = scaled(i) - anint(scaled(i)) |
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< |
enddo |
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> |
scaled = scaled - anint(scaled) |
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> |
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! calc the wrapped real coordinates from the wrapped scaled |
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! coordinates |
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< |
d = matmul(scaled,Hmat) |
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> |
d = matmul(Hmat,scaled) |
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else |
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! calc the scaled coordinates. |
