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I noticed that in Function G1, there is G1=DEXP(V2*T2-R2/4.D0/T2)SUM/T, if I understood correctly, G2=R/2.D0/T**3DEXP(V2*T2-R2/4.D0/T2)*SUM should be the derivative of G1 over R. so it seems that G2 missing a negative sign at the beginning, could u confirm that ?
i saw the sign was moved before AQUADF
The text was updated successfully, but these errors were encountered:
I noticed that in Function G1, there is G1=DEXP(V2*T2-R2/4.D0/T2)SUM/T, if I understood correctly, G2=R/2.D0/T**3DEXP(V2*T2-R2/4.D0/T2)*SUM should be the derivative of G1 over R. so it seems that G2 missing a negative sign at the beginning, could u confirm that ?
i saw the sign was moved before AQUADF
The text was updated successfully, but these errors were encountered: