| 1 | C ------------------------------------------------------------------------------ |
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| 2 | C Subroutine for the derivative of Jac with respect to rate coefficients |
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| 3 | C Times a user vector |
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| 4 | C ----------------------------------------------------------------------------- |
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| 5 | |
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| 6 | SUBROUTINE dJac_dRcoeff( V, F, U, NCOEFF, JCOEFF, DJDR ) |
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| 7 | |
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| 8 | IMPLICIT NONE |
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| 9 | INCLUDE 'KPP_ROOT_Parameters.h' |
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| 10 | INCLUDE 'KPP_ROOT_Sparse.h' |
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| 11 | |
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| 12 | C V - Concentrations of variable/radical/fixed species |
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| 13 | KPP_REAL V(NVAR), F(NFIX) |
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| 14 | C U - User-supplied Vector |
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| 15 | KPP_REAL U(NVAR) |
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| 16 | C NCOEFF - the number of rate coefficients with respect to which we differentiate |
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| 17 | INTEGER NCOEFF |
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| 18 | C JCOEFF - a vector of integers containing the indices of reactions (rate |
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| 19 | C coefficients) with respect to which we differentiate |
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| 20 | INTEGER JCOEFF(NCOEFF) |
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| 21 | C DFDR - a matrix containg derivative values; specifically, |
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| 22 | C column j contains d Jac(1:NVAR) / d RCT( JCOEFF(j) ) * U |
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| 23 | C for each 1 <= j <= NCOEFF |
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| 24 | C This matrix is stored in a column-wise linearized format |
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| 25 | KPP_REAL DJDR(NVAR*NCOEFF) |
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| 26 | |
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| 27 | C Local vector for Jacobian of reactant products |
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| 28 | KPP_REAL JV_RPROD(NJVRP) |
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| 29 | KPP_REAL aj |
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| 30 | INTEGER i,j,k |
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| 31 | |
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| 32 | C Compute the Jacobian of all reactant products |
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| 33 | CALL JacReactantProd( V, F, JV_RPROD ) |
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| 34 | |
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| 35 | C Compute the derivatives by multiplying column JCOEFF(j) of the stoichiometric matrix with A_PROD |
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| 36 | DO j=1,NCOEFF |
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| 37 | C Initialize the j-th column of derivative matrix to zero |
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| 38 | DO i=1,NVAR |
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| 39 | DJDR(i+NVAR*(j-1)) = 0.0D0 |
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| 40 | END DO |
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| 41 | C Column JCOEFF(j) in the stoichiometric matrix times the |
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| 42 | C ( Gradient of reactant product of the JCOEFF(j)-th reaction X user vector ) |
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| 43 | C give the j-th column of the derivative matrix |
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| 44 | C |
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| 45 | C Row JCOEFF(j) of JV_RPROD times the user vector |
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| 46 | aj = 0.d0 |
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| 47 | DO k=CROW_JVRP(JCOEFF(j)),CROW_JVRP(JCOEFF(j)+1)-1 |
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| 48 | aj = aj + JV_RPROD(k)*U(ICOL_JVRP(k)) |
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| 49 | END DO |
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| 50 | C Column JCOEFF(j) of Stoichiom. matrix times aj |
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| 51 | DO k=CCOL_STOICM(JCOEFF(j)),CCOL_STOICM(JCOEFF(j)+1)-1 |
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| 52 | DJDR(IROW_STOICM(k)+NVAR*(j-1)) = STOICM(k)*aj |
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| 53 | END DO |
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| 54 | END DO |
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| 55 | |
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| 56 | RETURN |
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| 57 | END |
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