chem/KPP/kpp/kpp-2.1/util/dFun_dRcoeff.f90

   1 ! ------------------------------------------------------------------------------
   2 ! Subroutine for the derivative of Fun with respect to rate coefficients
   3 ! -----------------------------------------------------------------------------
   4
   5       SUBROUTINE  dFun_dRcoeff( V, F, NCOEFF, JCOEFF, DFDR )
   6
   7       USE KPP_ROOT_Parameters
   8       USE KPP_ROOT_StoichiomSP
   9       IMPLICIT NONE
  10
  11 ! V - Concentrations of variable/radical/fixed species
  12       KPP_REAL V(NVAR), F(NFIX)
  13 ! NCOEFF - the number of rate coefficients with respect to which we differentiate
  14       INTEGER NCOEFF
  15 ! JCOEFF - a vector of integers containing the indices of reactions (rate
  16 !          coefficients) with respect to which we differentiate
  17       INTEGER JCOEFF(NCOEFF)
  18 ! DFDR  - a matrix containg derivative values; specifically,
  19 !         column j contains d Fun(1:NVAR) / d RCT( JCOEFF(j) )
  20 !         for each 1 <= j <= NCOEFF
  21 !         This matrix is stored in a column-wise linearized format
  22       KPP_REAL DFDR(NVAR*NCOEFF)
  23
  24 ! Local vector with reactant products
  25       KPP_REAL A_RPROD(NREACT)
  26       KPP_REAL aj
  27       INTEGER i,j,k
  28
  29 ! Compute the reactant products of all reactions
  30       CALL ReactantProd ( V, F, A_RPROD )
  31
  32 ! Compute the derivatives by multiplying column JCOEFF(j) of the stoichiometric matrix with A_RPROD
  33       DO j=1,NCOEFF
  34 !                  Initialize the j-th column of derivative matrix to zero
  35          DO i=1,NVAR
  36            DFDR(i+NVAR*(j-1)) = 0.0_dp
  37          END DO
  38 !                  Column JCOEFF(j) in the stoichiometric matrix times the
  39 !                  reactant product  of the JCOEFF(j)-th reaction
  40 !                  give the j-th column of the derivative matrix
  41          aj = A_RPROD(JCOEFF(j))
  42          DO k=CCOL_STOICM(JCOEFF(j)),CCOL_STOICM(JCOEFF(j)+1)-1
  43            DFDR(IROW_STOICM(k)+NVAR*(j-1)) = STOICM(k)*aj
  44          END DO
  45       END DO
  46
  47       END SUBROUTINE  dFun_dRcoeff