! ------------------------------------------------------------------------------ ! Subroutine for the derivative of Fun with respect to rate coefficients ! ----------------------------------------------------------------------------- SUBROUTINE dFun_dRcoeff( V, F, NCOEFF, JCOEFF, DFDR ) USE KPP_ROOT_Parameters USE KPP_ROOT_StoichiomSP IMPLICIT NONE ! V - Concentrations of variable/radical/fixed species KPP_REAL V(NVAR), F(NFIX) ! 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 Fun(1:NVAR) / d RCT( JCOEFF(j) ) ! for each 1 <= j <= NCOEFF ! This matrix is stored in a column-wise linearized format KPP_REAL DFDR(NVAR*NCOEFF) ! Local vector with reactant products KPP_REAL A_RPROD(NREACT) KPP_REAL aj INTEGER i,j,k ! Compute the reactant products of all reactions CALL ReactantProd ( V, F, A_RPROD ) ! Compute the derivatives by multiplying column JCOEFF(j) of the stoichiometric matrix with A_RPROD DO j=1,NCOEFF ! Initialize the j-th column of derivative matrix to zero DO i=1,NVAR DFDR(i+NVAR*(j-1)) = 0.0_dp END DO ! Column JCOEFF(j) in the stoichiometric matrix times the ! reactant product of the JCOEFF(j)-th reaction ! give the j-th column of the derivative matrix aj = A_RPROD(JCOEFF(j)) DO k=CCOL_STOICM(JCOEFF(j)),CCOL_STOICM(JCOEFF(j)+1)-1 DFDR(IROW_STOICM(k)+NVAR*(j-1)) = STOICM(k)*aj END DO END DO END SUBROUTINE dFun_dRcoeff