|  | programmer's documentation | 
Routines for user defined atmospheric chemical scheme. More...
| Functions/Subroutines | |
| subroutine | kinetic (nr, rk, temp, xlw, press, azi, att, option_photolysis) | 
| kinetic  More... | |
| subroutine | fexchem (ns, nr, y, rk, zcsourc, convers_factor, chem) | 
| fexchem  More... | |
| subroutine | jacdchemdc (ns, nr, y, convers_factor, convers_factor_jac, rk, jacc) | 
| jacdchemdc  More... | |
| subroutine | rates (ns, nr, rk, y, w) | 
| rates  More... | |
| subroutine | dratedc (ns, nr, rk, y, dw) | 
| dratedc  More... | |
| subroutine | lu_decompose (ns, m) | 
| lu_decompose  More... | |
| subroutine | lu_solve (ns, m, x) | 
| lu_solve  More... | |
Routines for user defined atmospheric chemical scheme.
| subroutine dratedc | ( | integer | ns, | 
| integer | nr, | ||
| double precision, dimension(nr) | rk, | ||
| double precision, dimension(ns) | y, | ||
| double precision, dimension(nr,ns) | dw | ||
| ) | 
dratedc
Computation of derivatives of reaction rates
| [in] | nr | total number of chemical reactions | 
| [in] | ns | total number of chemical species | 
| [in] | rk | kinetic rates | 
| [in] | y | concentrations vector | 
| [out] | dw | derivatives of reaction rates | 
| subroutine fexchem | ( | integer | ns, | 
| integer | nr, | ||
| double precision, dimension(ns) | y, | ||
| double precision, dimension(nr) | rk, | ||
| double precision, dimension(ns) | zcsourc, | ||
| double precision, dimension(ns) | convers_factor, | ||
| double precision, dimension(ns) | chem | ||
| ) | 
fexchem
Computation of the chemical production terms
| [in] | nr | total number of chemical reactions | 
| [in] | ns | total number of chemical species | 
| [in] | y | concentrations vector | 
| [in] | rk | kinetic rates | 
| [in] | zcsourc | source term | 
| [in] | convers_factor | conversion factors | 
| [out] | chem | chemical production terms for every species | 
| subroutine jacdchemdc | ( | integer | ns, | 
| integer | nr, | ||
| double precision, dimension(ns) | y, | ||
| double precision, dimension(ns) | convers_factor, | ||
| double precision, dimension(ns,ns) | convers_factor_jac, | ||
| double precision, dimension(nr) | rk, | ||
| double precision, dimension(ns,ns) | jacc | ||
| ) | 
jacdchemdc
Computation of the Jacobian matrix for atmospheric chemistry
| [in] | nr | total number of chemical reactions | 
| [in] | ns | total number of chemical species | 
| [in] | y | concentrations vector | 
| [in] | convers_factor | conversion factors of mug/m3 to molecules/cm3 | 
| [in] | convers_factor_jac | conversion factors for the Jacobian matrix (Wmol(i)/Wmol(j)) | 
| [in] | rk | kinetic rates | 
| [out] | jacc | Jacobian matrix | 
| subroutine kinetic | ( | integer | nr, | 
| double precision, dimension(nr) | rk, | ||
| double precision | temp, | ||
| double precision | xlw, | ||
| double precision | press, | ||
| double precision | azi, | ||
| double precision | att, | ||
| integer | option_photolysis | ||
| ) | 
kinetic
Computation of kinetic rates for atmospheric chemistry
| [in] | nr | total number of chemical reactions | 
| [in] | option_photolysis | flag to activate or not photolysis reactions | 
| [in] | azi | solar zenith angle | 
| [in] | att | atmospheric attenuation variable | 
| [in] | temp | temperature | 
| [in] | press | pressure | 
| [in] | xlw | water massic fraction | 
| [out] | rk(nr) | kinetic rates | 
| subroutine lu_decompose | ( | integer | ns, | 
| double precision, dimension(ns,ns) | m | ||
| ) | 
lu_decompose
Computation of LU factorization of matrix m
| [in] | ns | matrix row number from the chemical species number | 
| [in,out] | m | on entry, an invertible matrix. On exit, an LU factorization of m | 
| subroutine lu_solve | ( | integer | ns, | 
| double precision, dimension(ns,ns) | m, | ||
| double precision, dimension(ns) | x | ||
| ) | 
lu_solve
Resolution of MY=X where M is an LU factorization computed by lu_decompose
| [in] | ns | matrix row number from the chemical species number | 
| [in] | m | an LU factorization computed by lu_decompose | 
| [in,out] | x | on entry, the right-hand side of the equation | 
| subroutine rates | ( | integer | ns, | 
| integer | nr, | ||
| double precision, dimension(nr) | rk, | ||
| double precision, dimension(ns) | y, | ||
| double precision, dimension(nr) | w | ||
| ) | 
rates
Computation of reaction rates
| [in] | nr | total number of chemical reactions | 
| [in] | ns | total number of chemical species | 
| [in] | rk | kinetic rates | 
| [in] | y | concentrations vector | 
| [out] | w | reaction rates | 
 1.8.3.1
 1.8.3.1