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programmer's documentation
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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 |
1.8.7