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!! Calculates Long Range forces Lennard-Jones interactions. |
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!! @author Charles F. Vardeman II |
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!! @author Matthew Meineke |
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!! @version $Id: LJ.F90,v 1.17 2005-10-12 18:59:16 chuckv Exp $, $Date: 2005-10-12 18:59:16 $, $Name: not supported by cvs2svn $, $Revision: 1.17 $ |
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!! @version $Id: LJ.F90,v 1.18 2005-10-12 21:00:49 gezelter Exp $, $Date: 2005-10-12 21:00:49 $, $Name: not supported by cvs2svn $, $Revision: 1.18 $ |
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module lj |
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#ifdef IS_MPI |
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if (do_pot) then |
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pot_Row(LJ_POT,atom1) = pot_Row(LJ_POT,atom1) + sw*pot_temp*0.5 |
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pot_Col(LJ_POT,atom2) = pot_Col(LJ_POT,atom2) + sw*pot_temp*0.5 |
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pot_Row(VDW_POT,atom1) = pot_Row(VDW_POT,atom1) + sw*pot_temp*0.5 |
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pot_Col(VDW_POT,atom2) = pot_Col(VDW_POT,atom2) + sw*pot_temp*0.5 |
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endif |
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f_Row(1,atom1) = f_Row(1,atom1) + fx |
