void uhfsolve::setupCoupledMatrix_unused(){
//still following Dragly, further references to indexation differences between Thijssen and Helgaker
coupledMatrix.set_size(nStates,nStates);
for(int p = 0; p<nStates;p++){
for(int r = 0; r<nStates;r++){
coupledMatrix(p,r)=zeros(nStates,nStates);
for(int q = p; q<nStates;q++){
for(int s = r; s<nStates;s++){
coupledMatrix(p,r)(q,s) = Bs.v(p,q)(r,s);
}
}
}
}
double val;
for(int p = 0; p<nStates;p++){
for(int r = 0; r<nStates;r++){
for(int q = p; q<nStates;q++){
for(int s = r; s<nStates;s++){
val = coupledMatrix(p,r)(q,s);
coupledMatrix(q,s)(p,r) = val;
coupledMatrix(q,r)(p,s) = val;
coupledMatrix(p,s)(q,r) = val;
coupledMatrix(r,p)(s,q) = val;
coupledMatrix(s,p)(r,q) = val;
coupledMatrix(r,q)(s,p) = val;
coupledMatrix(s,q)(r,p) = val;
}
}
}
}
coupledMatrix.print();
}
Foam::SolverPerformance<Type> Foam::fvMatrix<Type>::solveCoupled
(
const dictionary& solverControls
)
{
if (debug)
{
Info.masterStream(this->mesh().comm())
<< "fvMatrix<Type>::solveCoupled"
"(const dictionary& solverControls) : "
"solving fvMatrix<Type>"
<< endl;
}
GeometricField<Type, fvPatchField, volMesh>& psi =
const_cast<GeometricField<Type, fvPatchField, volMesh>&>(psi_);
LduMatrix<Type, scalar, scalar> coupledMatrix(psi.mesh());
coupledMatrix.diag() = diag();
coupledMatrix.upper() = upper();
coupledMatrix.lower() = lower();
coupledMatrix.source() = source();
addBoundaryDiag(coupledMatrix.diag(), 0);
addBoundarySource(coupledMatrix.source(), false);
coupledMatrix.interfaces() = psi.boundaryField().interfaces();
coupledMatrix.interfacesUpper() = boundaryCoeffs().component(0);
coupledMatrix.interfacesLower() = internalCoeffs().component(0);
autoPtr<typename LduMatrix<Type, scalar, scalar>::solver>
coupledMatrixSolver
(
LduMatrix<Type, scalar, scalar>::solver::New
(
psi.name(),
coupledMatrix,
solverControls
)
);
SolverPerformance<Type> solverPerf
(
coupledMatrixSolver->solve(psi)
);
if (SolverPerformance<Type>::debug)
{
solverPerf.print(Info.masterStream(this->mesh().comm()));
}
psi.correctBoundaryConditions();
psi.mesh().setSolverPerformance(psi.name(), solverPerf);
return solverPerf;
}
void uhfsolve::setupCoupledMatrix(){
//import particle-particle interaction integrals
int n = Bs.Nstates;
coupledMatrix.set_size(n, n);
for (int p = 0; p<n; p++){
for (int q = 0; q<n; q++){
coupledMatrix(p, q) = zeros(n, n);
}
}
for (int p = 0; p<n; p++){
for (int q = 0; q<n; q++){
for (int r = 0; r<n; r++){
for (int s = 0; s<n; s++){
coupledMatrix(p, r)(q, s) = Bs.v(p, q)(r, s); //alt (1) "Strange" (CHANGED TODAY)
}
}
}
}
}
