doublereal RedlichKisterVPSSTP::entropy_mole() const
{
double s = 0;
vector_fp sbar(m_kk);
getPartialMolarEntropies(&sbar[0]);
for (size_t i = 0; i < m_kk; i++) {
s += moleFractions_[i]*sbar[i];
}
return s;
}
doublereal MixedSolventElectrolyte::entropy_mole() const
{
double s = 0;
vector_fp sbar(m_kk);
getPartialMolarEntropies(&sbar[0]);
for (size_t i = 0; i < m_kk; i++) {
s += moleFractions_[i]*sbar[i];
}
return s;
}
doublereal MargulesVPSSTP::entropy_mole() const
{
size_t kk = nSpecies();
double s = 0;
vector_fp sbar(kk);
getPartialMolarEntropies(&sbar[0]);
for (size_t i = 0; i < kk; i++) {
s += moleFractions_[i]*sbar[i];
}
return s;
}
int main() {
quaternion q1(1, 2, 3, 4);
q1 = normalize(q1);
// real3 v(1,2,3);
// real3 Pl_1 = MatTMult(AMat(q1), v);
// cout<<Pl_1<<endl;
// real3 Pl_2 = quatRotate(v, ~q1);
// cout<<Pl_2<<endl;
// M33 Ps = XMatrix(v);
// M33 Jtemp = MatMult(AMat(q1), Ps);
// cout<<Jtemp.U;
// cout<<Jtemp.V;
// cout<<Jtemp.W;
quaternion E1(1, 2, 3, 4);
E1 = normalize(E1);
real3 sbar(1, 2, 3);
//real3 vnew1 = quatRotate(sbar,~E1);
//real3 vnew2 = quatRotateMatT(sbar,E1);
//
//
//
////real3 t = 2 * cross(real3(E1.x,E1.y,E1.z), sbar);
////real3 vnew2 = sbar + E1.w * t + cross(real3(E1.x,E1.y,E1.z), t);
//
//cout<<vnew1<<endl;
////
//cout<<vnew2<<endl;;
real3 U = normalize(real3(1, 7, 3));
real3 V, W;
W = cross(U, R3(0, 1, 0));
real mzlen = length(W);
if (mzlen < .0001) { // was near singularity? change singularity reference custom_vector!
real3 mVsingular = R3(1, 0, 0);
W = cross(U, mVsingular);
mzlen = length(W);
}
W /= mzlen;
V = cross(W, U);
//
M33 contact_plane;
contact_plane.U = U;
contact_plane.V = V;
contact_plane.W = W;
//
sbar = quatRotate(sbar, ~E1); //A^T*s
////
//// M33 sbartilde = XMatrix(sbar);
//// M33 Jtemp = MatMult(AMat(E1), sbartilde);
//// M33 Jr = MatTMult(contact_plane, Jtemp);
real3 col1 = cross(quatRotate(U, ~E1), sbar);
real3 col2 = cross(quatRotate(V, ~E1), sbar);
real3 col3 = cross(quatRotate(W, ~E1), sbar);
cout << col1;
cout << col2;
cout << col3;
real3 A = normalize(quatRotate(U, ~E1));
real3 B, C;
C = cross(A, R3(0, 1, 0));
mzlen = length(C);
if (mzlen < .0001) { // was near singularity? change singularity reference custom_vector!
real3 mVsingular = R3(1, 0, 0);
C = cross(A, mVsingular);
mzlen = length(C);
}
C /= mzlen;
B = cross(C, A);
col1 = cross(A, sbar);
col2 = cross(B, sbar);
col3 = cross(C, sbar);
cout<<endl;
cout << col1;
cout << col2;
cout << col3;
//
//
////
// M33 Jr = MatTMult(contact_plane, AMat(E1));
////
// real3 T1 = R3(Jr.U.x, Jr.V.x, Jr.W.x);
// real3 T2 = R3(Jr.U.y, Jr.V.y, Jr.W.y);
// real3 T3 = R3(Jr.U.z, Jr.V.z, Jr.W.z);
////
// real3 col1 = quatRotate(U, ~E1);
// real3 col2 = quatRotate(V, ~E1);
// real3 col3 = quatRotate(W, ~E1);
// cout << col1;
// cout << col2;
// cout << col3;
//
// cout << endl;
// cout << T1;
// cout << T2;
// cout << T3;
/*
[-1.5185, -2.30493, 1.89737]
[-0.347087, -0.52684, -2.9093]
[1.34496, 2.04151, 1.3914]
*/
// [0.650787, 0.178357, 0.737865]
// [0.0780945, -0.982338, 0.168655]
// [0.754913, -0.0521351, -0.653537]
return 0;
}
