! ------------------------------------------------------------------------------ ! Subroutine for the derivative of Jac with respect to rate coefficients ! Times a user vector ! ----------------------------------------------------------------------------- SUBROUTINE dJac_dRcoeff( V, F, U, NCOEFF, JCOEFF, DJDR ) USE KPP_ROOT_Parameters USE KPP_ROOT_StoichiomSP IMPLICIT NONE ! V - Concentrations of variable/fixed species KPP_REAL V(NVAR), F(NFIX) ! U - User-supplied Vector KPP_REAL U(NVAR) ! NCOEFF - the number of rate coefficients with respect to which we differentiate INTEGER NCOEFF ! JCOEFF - a vector of integers containing the indices of reactions (rate ! coefficients) with respect to which we differentiate INTEGER JCOEFF(NCOEFF) ! DFDR - a matrix containg derivative values; specifically, ! column j contains d Jac(1:NVAR) / d RCT( JCOEFF(j) ) * U ! for each 1 <= j <= NCOEFF ! This matrix is stored in a column-wise linearized format KPP_REAL DJDR(NVAR*NCOEFF) ! Local vector for Jacobian of reactant products KPP_REAL JV_RPROD(NJVRP) KPP_REAL aj INTEGER i,j,k ! Compute the Jacobian of all reactant products CALL JacReactantProd( V, F, JV_RPROD ) ! Compute the derivatives by multiplying column JCOEFF(j) of the stoichiometric matrix with A_PROD DO j=1,NCOEFF ! Initialize the j-th column of derivative matrix to zero DO i=1,NVAR DJDR(i+NVAR*(j-1)) = 0.0_dp END DO ! Column JCOEFF(j) in the stoichiometric matrix times the ! ( Gradient of reactant product of the JCOEFF(j)-th reaction X user vector ) ! give the j-th column of the derivative matrix ! ! Row JCOEFF(j) of JV_RPROD times the user vector aj = 0.0_dp DO k=CROW_JVRP(JCOEFF(j)),CROW_JVRP(JCOEFF(j)+1)-1 aj = aj + JV_RPROD(k)*U(ICOL_JVRP(k)) END DO ! Column JCOEFF(j) of Stoichiom. matrix times aj DO k=CCOL_STOICM(JCOEFF(j)),CCOL_STOICM(JCOEFF(j)+1)-1 DJDR(IROW_STOICM(k)+NVAR*(j-1)) = STOICM(k)*aj END DO END DO END SUBROUTINE dJac_dRcoeff