[2696] | 1 | % ------------------------------------------------------------------------------ |
---|
| 2 | % Subroutine for the derivative of Jac with respect to rate coefficients |
---|
| 3 | % Times a user vector |
---|
| 4 | % ----------------------------------------------------------------------------- |
---|
| 5 | |
---|
| 6 | DJDR = function dJac_dRcoeff( V, F, U, NCOEFF, JCOEFF ) |
---|
| 7 | |
---|
| 8 | % V - Concentrations of variable/fixed species |
---|
| 9 | % KPP_REAL V(KPP_NVAR), F(NFIX) |
---|
| 10 | % U - User-supplied Vector |
---|
| 11 | % KPP_REAL U(KPP_NVAR) |
---|
| 12 | % NCOEFF - the number of rate coefficients with respect to which we differentiate |
---|
| 13 | % INTEGER NCOEFF |
---|
| 14 | % JCOEFF - a vector of integers containing the indices of reactions (rate |
---|
| 15 | % coefficients) with respect to which we differentiate |
---|
| 16 | % INTEGER JCOEFF(NCOEFF) |
---|
| 17 | % DFDR - a matrix containg derivative values; specifiy, |
---|
| 18 | % column j contains d Jac(1:KPP_NVAR) / d RCT( JCOEFF(j) ) * U |
---|
| 19 | % for each 1 <= j <= NCOEFF |
---|
| 20 | % This matrix is stored in a column-wise linearized format |
---|
| 21 | % KPP_REAL DJDR(KPP_NVAR*NCOEFF) |
---|
| 22 | |
---|
| 23 | % Local vector for Jacobian of reactant products |
---|
| 24 | % KPP_REAL JV_RPROD(NJVRP) |
---|
| 25 | % Compute the Jacobian of all reactant products |
---|
| 26 | JV_RPROD = JacReactantProd( V, F ); |
---|
| 27 | |
---|
| 28 | % Compute the derivatives by multiplying column JCOEFF(j) of the stoichiometric matrix with A_PROD |
---|
| 29 | for j=1:NCOEFF |
---|
| 30 | % Initialize the j-th column of derivative matrix to zero |
---|
| 31 | for i=1,KPP_NVAR |
---|
| 32 | DJDR(i+KPP_NVAR*(j-1)) = 0.0; |
---|
| 33 | end |
---|
| 34 | % Column JCOEFF(j) in the stoichiometric matrix times the |
---|
| 35 | % ( Gradient of reactant product of the JCOEFF(j)-th reaction X user vector ) |
---|
| 36 | % give the j-th column of the derivative matrix |
---|
| 37 | % |
---|
| 38 | % Row JCOEFF(j) of JV_RPROD times the user vector |
---|
| 39 | aj = 0.0; |
---|
| 40 | for k=CROW_JVRP(JCOEFF(j)):CROW_JVRP(JCOEFF(j)+1)-1 |
---|
| 41 | aj = aj + JV_RPROD(k)*U(ICOL_JVRP(k)); |
---|
| 42 | end |
---|
| 43 | % Column JCOEFF(j) of Stoichiom. matrix times aj |
---|
| 44 | for k=CCOL_STOICM(JCOEFF(j)):CCOL_STOICM(JCOEFF(j)+1)-1 |
---|
| 45 | DJDR(IROW_STOICM(k)+KPP_NVAR*(j-1)) = STOICM(k)*aj; |
---|
| 46 | end |
---|
| 47 | end |
---|
| 48 | |
---|
| 49 | return % dJac_dRcoeff |
---|