wrfv2_fire/chem/KPP/kpp/kpp-2.1/util/dJac_dRcoeff.m

   1 % ------------------------------------------------------------------------------
   2 % Subroutine for the derivative of Jac with respect to rate coefficients
   3 % Times a user vector
   4 % -----------------------------------------------------------------------------
   5
   6 DJDR = function dJac_dRcoeff( V, F, U, NCOEFF, JCOEFF )
   7
   8 % V - Concentrations of variable/fixed species
   9 %        KPP_REAL V(KPP_NVAR), F(NFIX)
  10 % U - User-supplied Vector
  11 %         KPP_REAL U(KPP_NVAR)
  12 % NCOEFF - the number of rate coefficients with respect to which we differentiate
  13 %       INTEGER NCOEFF
  14 % JCOEFF - a vector of integers containing the indices of reactions (rate
  15 %          coefficients) with respect to which we differentiate
  16 %          INTEGER JCOEFF(NCOEFF)
  17 % DFDR  - a matrix containg derivative values; specifiy,
  18 %         column j contains d Jac(1:KPP_NVAR) / d RCT( JCOEFF(j) ) * U
  19 %                     for each 1 <= j <= NCOEFF
  20 %         This matrix is stored in a column-wise linearized format
  21 %         KPP_REAL DJDR(KPP_NVAR*NCOEFF)
  22
  23 % Local vector for Jacobian of reactant products
  24 %         KPP_REAL JV_RPROD(NJVRP)
  25 % Compute the Jacobian of all reactant products
  26       JV_RPROD = JacReactantProd( V, F );
  27
  28 % Compute the derivatives by multiplying column JCOEFF(j) of the stoichiometric matrix with A_PROD
  29       for j=1:NCOEFF
  30 %                  Initialize the j-th column of derivative matrix to zero
  31          for i=1,KPP_NVAR
  32            DJDR(i+KPP_NVAR*(j-1)) = 0.0;
  33          end
  34 %                  Column JCOEFF(j) in the stoichiometric matrix times the
  35 %                  ( Gradient of reactant product of the JCOEFF(j)-th reaction X user vector )
  36 %                  give the j-th column of the derivative matrix
  37 %
  38 %          Row JCOEFF(j) of JV_RPROD times the user vector
  39          aj = 0.0;
  40          for k=CROW_JVRP(JCOEFF(j)):CROW_JVRP(JCOEFF(j)+1)-1
  41              aj = aj + JV_RPROD(k)*U(ICOL_JVRP(k));
  42          end
  43 %          Column JCOEFF(j) of Stoichiom. matrix times aj
  44          for k=CCOL_STOICM(JCOEFF(j)):CCOL_STOICM(JCOEFF(j)+1)-1
  45            DJDR(IROW_STOICM(k)+KPP_NVAR*(j-1)) = STOICM(k)*aj;
  46          end
  47       end
  48
  49 return % dJac_dRcoeff