source: palm/trunk/UTIL/chemistry/gasphase_preproc/kpp/util/dJac_dRcoeff.m @ 2898

Last change on this file since 2898 was 2696, checked in by kanani, 7 years ago

Merge of branch palm4u into trunk

File size: 2.2 KB
Line 
1% ------------------------------------------------------------------------------
2% Subroutine for the derivative of Jac with respect to rate coefficients
3% Times a user vector
4% -----------------------------------------------------------------------------
5
6DJDR = 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     
49return % dJac_dRcoeff
Note: See TracBrowser for help on using the repository browser.