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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 1.13 2005-05-29 21:16:25 chrisfen Exp $, $Date: 2005-05-29 21:16:25 $, $Name: not supported by cvs2svn $, $Revision: 1.13 $ |
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> |
!! @version $Id: sticky.F90,v 1.14 2005-08-26 21:30:41 chrisfen Exp $, $Date: 2005-08-26 21:30:41 $, $Name: not supported by cvs2svn $, $Revision: 1.14 $ |
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module sticky |
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|
| 71 |
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public :: do_sticky_pair |
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public :: destroyStickyTypes |
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public :: do_sticky_power_pair |
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+ |
public :: getStickyCut |
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+ |
public :: getStickyPowerCut |
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|
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– |
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type :: StickyList |
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integer :: c_ident |
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real( kind = dp ) :: w0 = 0.0_dp |
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return |
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end subroutine newStickyType |
| 151 |
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|
| 152 |
+ |
function getStickyCut(atomID) result(cutValue) |
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+ |
integer, intent(in) :: atomID |
| 154 |
+ |
real(kind=dp) :: cutValue |
| 155 |
+ |
|
| 156 |
+ |
cutValue = StickyMap(atomID)%rbig |
| 157 |
+ |
end function getStickyCut |
| 158 |
+ |
|
| 159 |
+ |
function getStickyPowerCut(atomID) result(cutValue) |
| 160 |
+ |
integer, intent(in) :: atomID |
| 161 |
+ |
real(kind=dp) :: cutValue |
| 162 |
+ |
|
| 163 |
+ |
cutValue = StickyMap(atomID)%rbig |
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+ |
end function getStickyPowerCut |
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+ |
|
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subroutine do_sticky_pair(atom1, atom2, d, rij, r2, sw, vpair, fpair, & |
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pot, A, f, t, do_pot) |
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|
