2 |
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!! Corresponds to the force field defined in lj_FF.cpp |
3 |
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!! @author Charles F. Vardeman II |
4 |
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!! @author Matthew Meineke |
5 |
< |
!! @version $Id: calc_LJ_FF.F90,v 1.14 2003-03-21 15:07:14 chuckv Exp $, $Date: 2003-03-21 15:07:14 $, $Name: not supported by cvs2svn $, $Revision: 1.14 $ |
5 |
> |
!! @version $Id: calc_LJ_FF.F90,v 1.15 2003-03-21 15:24:37 chuckv Exp $, $Date: 2003-03-21 15:24:37 $, $Name: not supported by cvs2svn $, $Revision: 1.15 $ |
6 |
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7 |
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module lj |
8 |
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use definitions |
195 |
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real( kind = dp ) :: t12 |
196 |
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real( kind = dp ) :: delta |
197 |
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198 |
< |
write(*,*) "Doing lj pair" |
198 |
> |
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199 |
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if (rij.lt.LJ_rcut) then |
200 |
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201 |
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! Look up the correct parameters in the mixing matrix |
266 |
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endif |
267 |
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268 |
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endif |
269 |
– |
write(*,*) "potential at end of do_lj_pair: ", pot |
269 |
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return |
270 |
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271 |
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end subroutine do_lj_pair |