rodas34.C
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28 
29 #include "rodas34.H"
31 
32 // * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
33 
34 namespace Foam
35 {
36  defineTypeNameAndDebug(rodas34, 0);
37  addToRunTimeSelectionTable(ODESolver, rodas34, dictionary);
38 
39 const scalar
40  rodas34::c2 = 0.386,
41  rodas34::c3 = 0.21,
42  rodas34::c4 = 0.63,
43  rodas34::d1 = 0.25,
44  rodas34::d2 = -0.1043,
45  rodas34::d3 = 0.1035,
46  rodas34::d4 = -0.3620000000000023e-01,
47  rodas34::a21 = 0.1544e1,
48  rodas34::a31 = 0.9466785280815826,
49  rodas34::a32 = 0.2557011698983284,
50  rodas34::a41 = 0.3314825187068521e1,
51  rodas34::a42 = 0.2896124015972201e1,
52  rodas34::a43 = 0.9986419139977817,
53  rodas34::a51 = 0.1221224509226641e1,
54  rodas34::a52 = 0.6019134481288629e1,
55  rodas34::a53 = 0.1253708332932087e2,
56  rodas34::a54 = -0.6878860361058950,
57  rodas34::c21 = -0.56688e1,
58  rodas34::c31 = -0.2430093356833875e1,
59  rodas34::c32 = -0.2063599157091915,
60  rodas34::c41 = -0.1073529058151375,
61  rodas34::c42 = -0.9594562251023355e1,
62  rodas34::c43 = -0.2047028614809616e2,
63  rodas34::c51 = 0.7496443313967647e1,
64  rodas34::c52 = -0.1024680431464352e2,
65  rodas34::c53 = -0.3399990352819905e2,
66  rodas34::c54 = 0.1170890893206160e2,
67  rodas34::c61 = 0.8083246795921522e1,
68  rodas34::c62 = -0.7981132988064893e1,
69  rodas34::c63 = -0.3152159432874371e2,
70  rodas34::c64 = 0.1631930543123136e2,
71  rodas34::c65 = -0.6058818238834054e1,
72  rodas34::gamma = 0.25;
73 }
74 
75 
76 // * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
77 
79 :
80  ODESolver(ode, dict),
82  k1_(n_),
83  k2_(n_),
84  k3_(n_),
85  k4_(n_),
86  k5_(n_),
87  dy_(n_),
88  err_(n_),
89  dydx_(n_),
90  dfdx_(n_),
91  dfdy_(n_, n_),
92  a_(n_, n_),
93  pivotIndices_(n_)
94 {}
95 
96 
97 // * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
98 
100 {
101  if (ODESolver::resize())
102  {
104 
105  resizeField(k1_);
106  resizeField(k2_);
107  resizeField(k3_);
108  resizeField(k4_);
109  resizeField(k5_);
110  resizeField(dy_);
111  resizeField(err_);
112  resizeField(dydx_);
113  resizeField(dfdx_);
114  resizeMatrix(dfdy_);
115  resizeMatrix(a_);
116  resizeField(pivotIndices_);
117 
118  return true;
119  }
120 
121  return false;
122 }
123 
124 
125 Foam::scalar Foam::rodas34::solve
126 (
127  const scalar x0,
128  const scalarField& y0,
129  const scalarField& dydx0,
130  const scalar dx,
131  scalarField& y
132 ) const
133 {
134  odes_.jacobian(x0, y0, dfdx_, dfdy_);
135 
136  for (label i=0; i<n_; i++)
137  {
138  for (label j=0; j<n_; j++)
139  {
140  a_(i, j) = -dfdy_(i, j);
141  }
142 
143  a_(i, i) += 1.0/(gamma*dx);
144  }
145 
146  LUDecompose(a_, pivotIndices_);
147 
148  // Calculate k1:
149  forAll(k1_, i)
150  {
151  k1_[i] = dydx0[i] + dx*d1*dfdx_[i];
152  }
153 
154  LUBacksubstitute(a_, pivotIndices_, k1_);
155 
156  // Calculate k2:
157  forAll(y, i)
158  {
159  y[i] = y0[i] + a21*k1_[i];
160  }
161 
162  odes_.derivatives(x0 + c2*dx, y, dydx_);
163 
164  forAll(k2_, i)
165  {
166  k2_[i] = dydx_[i] + dx*d2*dfdx_[i] + c21*k1_[i]/dx;
167  }
168 
169  LUBacksubstitute(a_, pivotIndices_, k2_);
170 
171  // Calculate k3:
172  forAll(y, i)
173  {
174  y[i] = y0[i] + a31*k1_[i] + a32*k2_[i];
175  }
176 
177  odes_.derivatives(x0 + c3*dx, y, dydx_);
178 
179  forAll(k3_, i)
180  {
181  k3_[i] = dydx_[i] + dx*d3*dfdx_[i] + (c31*k1_[i] + c32*k2_[i])/dx;
182  }
183 
184  LUBacksubstitute(a_, pivotIndices_, k3_);
185 
186  // Calculate k4:
187  forAll(y, i)
188  {
189  y[i] = y0[i] + a41*k1_[i] + a42*k2_[i] + a43*k3_[i];
190  }
191 
192  odes_.derivatives(x0 + c4*dx, y, dydx_);
193 
194  forAll(k4_, i)
195  {
196  k4_[i] = dydx_[i] + dx*d4*dfdx_[i]
197  + (c41*k1_[i] + c42*k2_[i] + c43*k3_[i])/dx;
198  }
199 
200  LUBacksubstitute(a_, pivotIndices_, k4_);
201 
202  // Calculate k5:
203  forAll(y, i)
204  {
205  dy_[i] = a51*k1_[i] + a52*k2_[i] + a53*k3_[i] + a54*k4_[i];
206  y[i] = y0[i] + dy_[i];
207  }
208 
209  odes_.derivatives(x0 + dx, y, dydx_);
210 
211  forAll(k5_, i)
212  {
213  k5_[i] = dydx_[i]
214  + (c51*k1_[i] + c52*k2_[i] + c53*k3_[i] + c54*k4_[i])/dx;
215  }
216 
217  LUBacksubstitute(a_, pivotIndices_, k5_);
218 
219  // Calculate new state and error
220  forAll(y, i)
221  {
222  dy_[i] += k5_[i];
223  y[i] = y0[i] + dy_[i];
224  }
225 
226  odes_.derivatives(x0 + dx, y, dydx_);
227 
228  forAll(err_, i)
229  {
230  err_[i] = dydx_[i]
231  + (c61*k1_[i] + c62*k2_[i] + c63*k3_[i] + c64*k4_[i] + c65*k5_[i])/dx;
232  }
233 
234  LUBacksubstitute(a_, pivotIndices_, err_);
235 
236  forAll(y, i)
237  {
238  y[i] = y0[i] + dy_[i] + err_[i];
239  }
240 
241  return normalizeError(y0, y, err_);
242 }
243 
244 
246 (
247  scalar& x,
248  scalarField& y,
249  scalar& dxTry
250 ) const
251 {
252  adaptiveSolver::solve(odes_, x, y, dxTry);
253 }
254 
255 
256 // ************************************************************************* //
Foam::addToRunTimeSelectionTable
addToRunTimeSelectionTable(decompositionMethod, kahipDecomp, dictionary)
Foam::ODESolver
Abstract base-class for ODE system solvers.
Definition: ODESolver.H:56
forAll
#define forAll(list, i)
Loop across all elements in list.
Definition: stdFoam.H:296
Foam::adaptiveSolver::solve
virtual scalar solve(const scalar x0, const scalarField &y0, const scalarField &dydx0, const scalar dx, scalarField &y) const =0
Solve a single step dx and return the error.
Foam::Field< scalar >
Foam::rodas34::resize
virtual bool resize()
Resize the ODE solver.
Definition: rodas34.C:99
rodas34.H
Foam::y0
dimensionedScalar y0(const dimensionedScalar &ds)
Definition: dimensionedScalar.C:281
Foam::rodas34::solve
virtual scalar solve(const scalar x0, const scalarField &y0, const scalarField &dydx0, const scalar dx, scalarField &y) const
Solve a single step dx and return the error.
Definition: rodas34.C:126
Foam::ode
An ODE solver for chemistry.
Definition: ode.H:52
dict
dictionary dict
Definition: searchingEngine.H:14
Foam::dictionary
A list of keyword definitions, which are a keyword followed by a number of values (eg,...
Definition: dictionary.H:123
addToRunTimeSelectionTable.H
Macros for easy insertion into run-time selection tables.
Foam
Namespace for OpenFOAM.
Definition: atmBoundaryLayer.C:33
Foam::constant::physicoChemical::c2
const dimensionedScalar c2
Second radiation constant: default SI units: [m.K].
Foam::LUBacksubstitute
void LUBacksubstitute(const scalarSquareMatrix &luMmatrix, const labelList &pivotIndices, List< Type > &source)
Definition: scalarMatricesTemplates.C:120
Foam::LUDecompose
void LUDecompose(scalarSquareMatrix &matrix, labelList &pivotIndices)
LU decompose the matrix with pivoting.
Definition: scalarMatrices.C:34
Foam::ODESystem
Abstract base class for the systems of ordinary differential equations.
Definition: ODESystem.H:49
Foam::adaptiveSolver::resize
bool resize(const label n)
Resize the ODE solver.
Definition: adaptiveSolver.C:52
gamma
const scalar gamma
Definition: EEqn.H:9
x
x
Definition: LISASMDCalcMethod2.H:52
Foam::rodas34::rodas34
rodas34(const ODESystem &ode, const dictionary &dict)
Construct from ODESystem.
Definition: rodas34.C:78
Foam::defineTypeNameAndDebug
defineTypeNameAndDebug(combustionModel, 0)
Foam::ODESolver::resize
virtual bool resize()=0
Resize the ODE solver.
Definition: ODESolver.C:92
Foam::adaptiveSolver
Definition: adaptiveSolver.H:53
y
scalar y
Definition: LISASMDCalcMethod1.H:14