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!! @author Matthew Meineke |
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!! @author Christopher Fennell |
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!! @author J. Daniel Gezelter |
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< |
!! @version $Id: sticky.F90,v 1.16 2005-10-12 20:18:17 chuckv Exp $, $Date: 2005-10-12 20:18:17 $, $Name: not supported by cvs2svn $, $Revision: 1.16 $ |
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> |
!! @version $Id: sticky.F90,v 1.17 2005-10-12 21:00:50 gezelter Exp $, $Date: 2005-10-12 21:00:50 $, $Name: not supported by cvs2svn $, $Revision: 1.17 $ |
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module sticky |
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vpair = vpair + 0.5d0*(v0*s*w + v0p*sp*wp) |
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if (do_pot) then |
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#ifdef IS_MPI |
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< |
pot_row(STICKY_POT,atom1) = pot_row(STICKY_POT,atom1) + 0.25d0*(v0*s*w + v0p*sp*wp)*sw |
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< |
pot_col(STICKY_POT,atom2) = pot_col(STICKY_POT,atom2) + 0.25d0*(v0*s*w + v0p*sp*wp)*sw |
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> |
pot_row(HB_POT,atom1) = pot_row(HB_POT,atom1) + 0.25d0*(v0*s*w + v0p*sp*wp)*sw |
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> |
pot_col(HB_POT,atom2) = pot_col(HB_POT,atom2) + 0.25d0*(v0*s*w + v0p*sp*wp)*sw |
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#else |
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pot = pot + 0.5d0*(v0*s*w + v0p*sp*wp)*sw |
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#endif |
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if (do_pot) then |
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#ifdef IS_MPI |
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< |
pot_row(STICKY_POT,atom1) = pot_row(STICKY_POT,atom1) + 0.25d0*(v0*s*w)*sw |
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< |
pot_col(STICKY_POT,atom2) = pot_col(STICKY_POT,atom2) + 0.25d0*(v0*s*w)*sw |
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> |
pot_row(HB_POT,atom1) = pot_row(HB_POT,atom1) + 0.25d0*(v0*s*w)*sw |
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> |
pot_col(HB_POT,atom2) = pot_col(HB_POT,atom2) + 0.25d0*(v0*s*w)*sw |
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#else |
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pot = pot + 0.5d0*(v0*s*w)*sw |
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#endif |
