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!! Corresponds to the force field defined in lj_FF.cpp |
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!! @author Charles F. Vardeman II |
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!! @author Matthew Meineke |
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< |
!! @version $Id: calc_LJ_FF.F90,v 1.13 2003-03-18 19:09:12 gezelter Exp $, $Date: 2003-03-18 19:09:12 $, $Name: not supported by cvs2svn $, $Revision: 1.13 $ |
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> |
!! @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 $ |
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module lj |
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use definitions |
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real( kind = dp ) :: t12 |
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real( kind = dp ) :: delta |
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| 198 |
< |
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| 198 |
> |
write(*,*) "Doing lj pair" |
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if (rij.lt.LJ_rcut) then |
| 200 |
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! Look up the correct parameters in the mixing matrix |
| 266 |
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endif |
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| 268 |
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endif |
| 269 |
< |
return |
| 269 |
> |
write(*,*) "potential at end of do_lj_pair: ", pot |
| 270 |
> |
return |
| 271 |
> |
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| 272 |
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end subroutine do_lj_pair |
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