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Fixed derivatives for Lemmon2005

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Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
This commit is contained in:
Ian Bell
2014-06-06 18:51:39 +02:00
parent 356e0a6897
commit 69c21800bb
1 changed files with 11 additions and 11 deletions
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22
src/Helmholtz.cpp
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@@ -725,7 +725,7 @@ long double ResidualHelmholtzLemmon2005::dTau(const long double &tau, const long
int li = el.l, mi = el.m;
if (li != 0 && mi != 0){
long double pow_tau_mi = pow(tau, md);
s[i] = ni*(ti-mi*pow_tau_mi)*exp((ti-1)*log_tau+di*log_delta-pow(delta,li)-pow_tau_mi);
s[i] = ni*(ti-md*pow_tau_mi)*exp((ti-1)*log_tau+di*log_delta-pow(delta,li)-pow_tau_mi);
}
else if (li != 0 && mi == 0)
s[i] = ni*ti*exp((ti-1)*log_tau+di*log_delta-pow(delta,li));
@@ -769,7 +769,7 @@ long double ResidualHelmholtzLemmon2005::dDelta_dTau(const long double &tau, con
if (li != 0 && mi != 0){
long double pow_delta_li = pow(delta, li);
long double pow_tau_mi = pow(tau, md);
s[i] = ni*(di-li*pow_delta_li)*(ti-mi*pow_tau_mi)*exp((ti-1)*log_tau+(di-1)*log_delta-pow_delta_li-pow_tau_mi);
s[i] = ni*(di-li*pow_delta_li)*(ti-md*pow_tau_mi)*exp((ti-1)*log_tau+(di-1)*log_delta-pow_delta_li-pow_tau_mi);
}
else if (li != 0 && mi == 0){
long double pow_delta_li = pow(delta, li);
@@ -791,7 +791,7 @@ long double ResidualHelmholtzLemmon2005::dTau2(const long double &tau, const lon
int li = el.l, mi = el.m;
if (li != 0 && mi != 0){
long double pow_tau_mi = pow(tau, md);
long double bracket = (ti-mi*pow_tau_mi)*(ti-1-mi*pow_tau_mi)-mi*mi*pow_tau_mi;
long double bracket = (ti-md*pow_tau_mi)*(ti-1.0-md*pow_tau_mi)-md*md*pow_tau_mi;
s[i] = ni*bracket*exp((ti-2)*log_tau+di*log_delta-pow(delta,li)-pow_tau_mi);
}
else if (li != 0 && mi == 0)
@@ -839,7 +839,7 @@ long double ResidualHelmholtzLemmon2005::dDelta2_dTau(const long double &tau, co
if (li != 0 && mi != 0){
long double pow_delta_li = pow(delta,li);
long double pow_tau_mi = pow(tau,md);
long double bracket = (ti-mi*pow_tau_mi)*(((di-li*pow_delta_li))*(di-1-li*pow_delta_li)-li*li*pow_delta_li);
long double bracket = (ti-md*pow_tau_mi)*(((di-li*pow_delta_li))*(di-1-li*pow_delta_li)-li*li*pow_delta_li);
s[i] = ni*bracket*exp((ti-1)*log_tau+(di-2)*log_delta-pow_delta_li-pow_tau_mi);
}
else if (li != 0 && mi == 0){
@@ -865,7 +865,7 @@ long double ResidualHelmholtzLemmon2005::dDelta_dTau2(const long double &tau, co
long double pow_delta_li = pow(delta,li);
long double pow_tau_mi = pow(tau,md);
// delta derivative of second tau derivative
long double bracket = ((ti-mi*pow_tau_mi)*(ti-1-mi*pow_tau_mi)-mi*mi*pow_tau_mi)*(di-li*pow_delta_li);
long double bracket = ((ti-md*pow_tau_mi)*(ti-1-md*pow_tau_mi)-md*md*pow_tau_mi)*(di-li*pow_delta_li);
s[i] = ni*bracket*exp((ti-2)*log_tau+(di-1)*log_delta-pow_delta_li-pow_tau_mi);
}
else if (li != 0 && mi == 0){
@@ -912,13 +912,13 @@ long double ResidualHelmholtzLemmon2005::dTau3(const long double &tau, const lon
for (std::size_t i=0; i<N; ++i)
{
ResidualHelmholtzLemmon2005Element &el = elements[i];
long double ni = el.n, ti = el.t, di = el.d;
long double ni = el.n, ti = el.t, di = el.d, md = el.md;
int li = el.l, mi = el.m;
if (li != 0 && mi != 0){
long double pow_delta_li = pow(delta,li);
long double pow_tau_mi = pow(tau,mi);
//long double bracket = -pow(tau,ti+mi-3)*mi*mi*(2*ti-2*mi*pow_tau_mi-1-mi)+((ti-2)*pow(tau,ti-3)-pow(tau,ti-2)*mi*pow(tau,mi-1))*((ti-mi*pow_tau_mi)*(ti-1-mi*pow_tau_mi)-mi*mi*pow_tau_mi);
s[i] = ni*ti*(ti-1)*(ti-2)*exp((ti-3)*log_tau+di*log_delta-pow_delta_li-pow_tau_mi);
long double pow_delta_li = pow(delta, li);
long double pow_tau_mi = pow(tau, md);
long double bracket = (pow(md, 3)*pow_tau_mi*pow_tau_mi*pow_tau_mi - 3*pow(md, 3)*pow_tau_mi*pow_tau_mi + pow(md, 3)*pow_tau_mi - 3*pow(md, 2)*ti*pow_tau_mi*pow_tau_mi + 3*pow(md, 2)*ti*pow_tau_mi + 3*pow(md, 2)*pow_tau_mi*pow_tau_mi - 3*pow(md, 2)*pow_tau_mi + 3*md*pow(ti, 2)*pow_tau_mi - 6*md*ti*pow_tau_mi + 2*md*pow_tau_mi - pow(ti, 3) + 3*pow(ti, 2) - 2*ti);
s[i] = -ni*bracket*exp((ti-3)*log_tau+di*log_delta-pow_delta_li-pow_tau_mi);
}
else if (li != 0 && mi == 0){
s[i] = ni*ti*(ti-1)*(ti-2)*exp((ti-3)*log_tau+di*log_delta-pow(delta,li));
@@ -1058,7 +1058,7 @@ long double ResidualHelmholtzNonAnalytic::dDelta2(const long double &tau, const
dDELTA2_dDelta2 = dDELTA_dDelta_over_delta_minus_1+pow(delta-1.0,2)*(4.0*Bi*ai*(ai-1.0)*pow(pow(delta-1,2),ai-2.0)+2.0*pow(Ai/betai,2)*pow(pow(pow(delta-1,2),1.0/(2.0*betai)-1.0),2)+Ai*theta*4.0/betai*(1.0/(2.0*betai)-1.0)*pow(pow(delta-1.0,2),1.0/(2.0*betai)-2.0));
dDELTAbi2_dDelta2 = bi*(pow(DELTA,bi-1.0)*dDELTA2_dDelta2+(bi-1.0)*pow(DELTA,bi-2.0)*pow(dDELTA_dDelta,2));
}
// At critical point, DELTA is 0, and 1/0^n is undefined
if (fabs(DELTA) < 10*DBL_EPSILON)
{