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root/group/trunk/OOPSE/libmdtools/calc_reaction_field.F90
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Comparing trunk/OOPSE/libmdtools/calc_reaction_field.F90 (file contents):
Revision 611 by gezelter, Tue Jul 15 17:10:50 2003 UTC vs.
Revision 621 by gezelter, Wed Jul 16 02:11:02 2003 UTC

# Line 59 | Line 59 | contains
59         if (rij.lt.rt) then
60            taper = 1.0d0
61         else
62 +          write(*,*) 'rf in taper region'
63            taper = (rrf + 2.0d0*rij - 3.0d0*rt)*(rrf-rij)**2/ ((rrf-rt)**3)
64         endif
65        
# Line 183 | Line 184 | contains
184         if (rij.lt.rt) then
185            dtdr = 0.0d0
186         else
187 +          write(*,*) 'rf correct in taper region'
188            dtdr = 6.0d0*(rij*rij - rij*rt - rij*rrf +rrf*rt)/((rrf-rt)**3)
189         endif
190        

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