chem/KPP/kpp/kpp-2.1/util/dJac_dRcoeff.f

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