public override Band_Data Calculate_Newton_Step(SpinResolved_Data rho_prime, Band_Data g_phi)
{
DoubleTriDiagMatrix lap_mat = -1.0 * Generate_Laplacian(exp.Layers);
Band_Data rho_prime_spin_summed = rho_prime.Spin_Summed_Data;
// check that lap_mat and rho_prime have the same dimension
if (rho_prime_spin_summed.Length != lap_mat.Rows)
{
throw new Exception("Error - the Laplacian generated by pois_solv has a different order to rho_prime!");
}
for (int i = 0; i < rho_prime_spin_summed.Length; i++)
{
lap_mat[i, i] -= rho_prime_spin_summed.vec[i];
}
DoubleTriDiagFact lu_newt_step = new DoubleTriDiagFact(lap_mat);
// calculate newton step and its laplacian
Band_Data result = new Band_Data(lu_newt_step.Solve(-1.0 * g_phi.vec));
result.Laplacian = Calculate_Phi_Laplacian(result);
return(result);
}
public OneD_PoissonSolver(Experiment exp, bool using_external_code, Dictionary<string, object> input)
: base(using_external_code)
{
this.exp = exp;
// generate Laplacian matrix (spin-resolved)
if (!using_external_code)
{
laplacian = Generate_Laplacian(exp.Layers);
lu_fact = new DoubleTriDiagFact(laplacian);
}
}
public OneD_PoissonSolver(Experiment exp, bool using_external_code, Dictionary <string, object> input)
: base(using_external_code)
{
this.exp = exp;
// generate Laplacian matrix (spin-resolved)
if (!using_external_code)
{
laplacian = Generate_Laplacian(exp.Layers);
lu_fact = new DoubleTriDiagFact(laplacian);
}
}
public override Band_Data Calculate_Newton_Step(SpinResolved_Data rho_prime, Band_Data g_phi)
{
DoubleTriDiagMatrix lap_mat = -1.0 * Generate_Laplacian(exp.Layers);
Band_Data rho_prime_spin_summed = rho_prime.Spin_Summed_Data;
// check that lap_mat and rho_prime have the same dimension
if (rho_prime_spin_summed.Length != lap_mat.Rows)
throw new Exception("Error - the Laplacian generated by pois_solv has a different order to rho_prime!");
for (int i = 0; i < rho_prime_spin_summed.Length; i++)
lap_mat[i, i] -= rho_prime_spin_summed.vec[i];
DoubleTriDiagFact lu_newt_step = new DoubleTriDiagFact(lap_mat);
// calculate newton step and its laplacian
Band_Data result = new Band_Data(lu_newt_step.Solve(-1.0 * g_phi.vec));
result.Laplacian = Calculate_Phi_Laplacian(result);
return result;
}