C ------------------------------------------------------------------------------ C Subroutine for the derivative of Fun with respect to rate coefficients C ----------------------------------------------------------------------------- SUBROUTINE dFun_dRcoeff( V, F, NCOEFF, JCOEFF, DFDR ) IMPLICIT NONE INCLUDE 'KPP_ROOT_Parameters.h' INCLUDE 'KPP_ROOT_Sparse.h' C V - Concentrations of variable/radical/fixed species KPP_REAL V(NVAR), F(NFIX) C NCOEFF - the number of rate coefficients with respect to which we differentiate INTEGER NCOEFF C JCOEFF - a vector of integers containing the indices of reactions (rate C coefficients) with respect to which we differentiate INTEGER JCOEFF(NCOEFF) C DFDR - a matrix containg derivative values; specifically, C column j contains d Fun(1:NVAR) / d RCT( JCOEFF(j) ) C for each 1 <= j <= NCOEFF C This matrix is stored in a column-wise linearized format KPP_REAL DFDR(NVAR*NCOEFF) C Local vector with reactant products KPP_REAL A_RPROD(NREACT) KPP_REAL aj INTEGER i,j,k C Compute the reactant products of all reactions CALL ReactantProd ( V, F, A_RPROD ) C Compute the derivatives by multiplying column JCOEFF(j) of the stoichiometric matrix with A_RPROD DO j=1,NCOEFF C Initialize the j-th column of derivative matrix to zero DO i=1,NVAR DFDR(i+NVAR*(j-1)) = 0.0D0 END DO C Column JCOEFF(j) in the stoichiometric matrix times the C reactant product of the JCOEFF(j)-th reaction C 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 RETURN END