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root/group/trunk/OOPSE-4/src/UseTheForce/DarkSide/gb.F90
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Comparing trunk/OOPSE-4/src/UseTheForce/DarkSide/gb.F90 (file contents):
Revision 2926 by gezelter, Fri Jul 7 19:44:54 2006 UTC vs.
Revision 2940 by xsun, Mon Jul 17 18:13:26 2006 UTC

# Line 187 | Line 187 | contains
187            GBMap%atidToGBtype(myATID) = current
188            GBMap%GBtypes(current)%atid      = myATID      
189            GBMap%GBtypes(current)%isLJ      = .true.          
190 <          GBMap%GBtypes(current)%d         = getSigma(myATID)
190 >          GBMap%GBtypes(current)%d         = getSigma(myATID) / sqrt(2.0_dp)
191            GBMap%GBtypes(current)%l         = GBMap%GBtypes(current)%d
192            GBMap%GBtypes(current)%eps       = getEpsilon(myATID)
193            GBMap%GBtypes(current)%eps_ratio = 1.0_dp
# Line 234 | Line 234 | contains
234            e2 = GBMap%GBtypes(j)%eps
235            er2 = GBMap%GBtypes(j)%eps_ratio
236            dw2 = GBMap%GBtypes(j)%dw
237 < !         write(*,*) 'd2 = ', d2,l2, d1,l2
238 < !          GBMixingMap(i,j)%sigma0 = sqrt(d1*d1 + d2*d2)
239 <          GBMixingMap(i,j)%sigma0 = 0.5_dp*(d1 + d2)
237 >
238 > !  Cleaver paper uses sqrt of squares to get sigma0 for
239 > !  mixed interactions.
240 >            
241 >          GBMixingMap(i,j)%sigma0 = sqrt(d1*d1 + d2*d2)
242            GBMixingMap(i,j)%xa2 = (l1*l1 - d1*d1)/(l1*l1 + d2*d2)
243            GBMixingMap(i,j)%xai2 = (l2*l2 - d2*d2)/(l2*l2 + d1*d1)
244            GBMixingMap(i,j)%x2 = (l1*l1 - d1*d1) * (l2*l2 - d2*d2) / &

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