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switched to definite analytic integrals for Wilhoit-to-NASA conversio…
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…n functions

the integrals were very tedious and time-consuming to write-up but they should reduce numerical issues; closes #62
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gmagoon committed Nov 13, 2011
1 parent 95eb1fc commit c321b12
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20 changes: 20 additions & 0 deletions rmgpy/thermo.pxd
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Expand Up @@ -154,7 +154,27 @@ cpdef double Wilhoit_integral2_T0(Wilhoit wilhoit, double t)

cpdef double Wilhoit_integral2_TM1(Wilhoit wilhoit, double t)

cpdef double Wilhoit_Dintegral_T0(Wilhoit wilhoit, double t1, double t2)

cpdef double Wilhoit_Dintegral_TM1(Wilhoit wilhoit, double t1, double t2)

cpdef double Wilhoit_Dintegral_T1(Wilhoit wilhoit, double t1, double t2)

cpdef double Wilhoit_Dintegral_T2(Wilhoit wilhoit, double t1, double t2)

cpdef double Wilhoit_Dintegral_T3(Wilhoit wilhoit, double t1, double t2)

cpdef double Wilhoit_Dintegral_T4(Wilhoit wilhoit, double t1, double t2)

cpdef double Wilhoit_Dintegral2_T0(Wilhoit wilhoit, double t1, double t2)

cpdef double Wilhoit_Dintegral2_TM1(Wilhoit wilhoit, double t1, double t2)

cpdef double NASA_integral2_T0(NASA polynomial, double T)

cpdef double NASA_integral2_TM1(NASA polynomial, double T)

cpdef double NASA_Dintegral2_T0(NASA polynomial, double Ta, double Tb)

cpdef double NASA_Dintegral2_TM1(NASA polynomial, double Ta, double Tb)

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