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root/group/trunk/OOPSE/libmdtools/calc_dipole_dipole.F90
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Comparing trunk/OOPSE/libmdtools/calc_dipole_dipole.F90 (file contents):
Revision 394 by gezelter, Mon Mar 24 21:55:34 2003 UTC vs.
Revision 443 by mmeineke, Wed Apr 2 22:19:03 2003 UTC

# Line 25 | Line 25 | contains
25      ! pre converts from mu in units of debye to kcal/mol
26      pre = 14.38362_dp
27  
28 –
29 –    write(*,*) 'rrf = ', rrf
30 –    write(*,*) 'rt = ', rt
31 –    write(*,*) 'pre = ', pre
32 –    
28      dipole_initialized = .true.
29      
30      return
# Line 84 | Line 79 | contains
79      ul2(3) = u_l(3,atom2)
80   #endif
81  
82 +    if( atom1 .eq. 2 )then
83 +       write (*,*) 'ul =', ul1(1), ul1(2), ul1(3)
84 +    endif
85 +
86 +    if( atom2 .eq. 2 )then
87 +       write (*,*) 'ul =', ul2(1), ul2(2), ul2(3)
88 +    endif
89 +
90 +
91      call getElementProperty(atypes, me1, "dipole_moment", mu1)
92      call getElementProperty(atypes, me2, "dipole_moment", mu2)
93  

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