fixed e330 calculation in dispersion module (trunk)
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@ -129,6 +129,8 @@ subroutine warmdisp(xg,yg,mu,npl,nprf,sox,lrm,err,nprr,npri,fast,imx,ex,ey,ez)
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else
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call diel_tens_fr(yg,mu,npl,a330,epsl,lrm,fast)
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end if
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a330= xg*a330
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e330= one + a330
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!
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do
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do i=1,imxx
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@ -150,14 +152,12 @@ subroutine warmdisp(xg,yg,mu,npl,nprf,sox,lrm,err,nprr,npri,fast,imx,ex,ey,ez)
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a33 = xg*sepsl(3,3)
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a13 = xg*sepsl(1,3)
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a23 = xg*sepsl(2,3)
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a330= xg*a330
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! a31 = a13
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! a32 =-a23
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!
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e11 = one + a11
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e22 = one + a22
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e12 = a12
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e330= one + a330
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! e33 = e330 + npra2*a33
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e13 = npra*a13
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e23 = npra*a23
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