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root/group/trunk/OOPSE-3.0/src/UseTheForce/DarkSide/atype_interface.F90
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Comparing trunk/OOPSE-3.0/src/UseTheForce/DarkSide/atype_interface.F90 (file contents):
Revision 1948 by gezelter, Fri Jan 14 20:31:16 2005 UTC vs.
Revision 2086 by gezelter, Tue Mar 8 21:06:12 2005 UTC

# Line 12 | Line 12 | subroutine makeatype(atp, status)
12  
13    integer :: ident
14    logical :: is_Directional, is_LennardJones, is_Electrostatic
15 <  logical :: is_Charge, is_Dipole, is_Sticky, is_GayBerne, is_EAM
16 <  logical :: is_Shape, is_FLARB
15 >  logical :: is_Charge, is_Dipole, is_Quadrupole
16 >  logical :: is_Sticky, is_GayBerne, is_EAM, is_Shape, is_FLARB
17  
18    ident = atp%ident
19    is_Directional = (atp%is_Directional .ne. 0)
20    is_LennardJones = (atp%is_LennardJones .ne. 0)
21 <  is_Electrostatic = (atp%is_Charge .ne. 0) .or. (atp%is_Dipole .ne. 0) .and. &
22 <                     (atp%is_Quadrupole .ne. 0)
21 >  is_Electrostatic = ((atp%is_Charge .ne. 0) .or. (atp%is_Dipole .ne. 0)) &
22 >       .or. (atp%is_Quadrupole .ne. 0)
23    
24    is_Charge = (atp%is_Charge .ne. 0)
25    is_Dipole = (atp%is_Dipole .ne. 0)
26 +  is_Quadrupole = (atp%is_Quadrupole .ne. 0)
27    is_Sticky = (atp%is_Sticky .ne. 0)
28    is_GayBerne = (atp%is_GayBerne .ne. 0)
29    is_EAM = (atp%is_EAM .ne. 0)
# Line 30 | Line 31 | subroutine makeatype(atp, status)
31    is_FLARB = (atp%is_FLARB .ne. 0)
32  
33    call new_atype(ident, is_Directional, is_LennardJones, is_Electrostatic, &
34 <       is_Charge, is_Dipole, is_Sticky, is_GayBerne, is_EAM, is_Shape, &
35 <       is_FLARB, status)
34 >       is_Charge, is_Dipole, is_Quadrupole, is_Sticky, is_GayBerne, is_EAM, &
35 >       is_Shape, is_FLARB, status)
36    
37   end subroutine

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