Ionization balance Dictionary Structure

ionization balance data dictionary

data

key Name	Description	Data Type	Size
cr_data	Holds data from the CR calculations	dictionary	(user chosen)
user	Holds user chosen data parameters	dictionary	(user chosen)
ion_matrix	ion balance matrix made up of GCR coefficients	array	(levels,levels,temp,dens)
processed	Holds processed data from the ionization balance calc	dictionary	(user chosen)

gcrs holds the gcr data the individual charge states. Each charge state then has its own qcd, scd, acd and xcd.

user

key Name	Description	Data Type	Size
temp_grid	User chosen electron temperature grid for calculation (eV)	float arr	(user chosen)
ttemp_grid	User chosen neutral hydrogen temperature grid for calculation (eV)	float arr	(user chosen)
dens_grid	User chosen electron density grid for calculation (cm-3)	float arr	(user chosen)
hdens_grid	User chosen neutral hydrogen density grid for calculation (cm-3)	float arr	(len(dens_grid))
temp_dens_pair	Use temperature and density pairs rather than grids	bool
ne_tau	Use temperature and density pairs rather than grids	bool
use_ionization	User choice to include ionization in the calculation	bool/bool arr	-/(num_metas)
suppliment_with_ecip	User choice to include suppliment onization with ECIP approx data	bool/bool arr	-/(num_metas)
use_recombination_three_body	User choice to include three body recombination in the calculation	bool/bool arr	-/(num_metas)
use_recombination	User choice to include recombination from file in the calculation	bool/bool arr	-/(num_metas)
use_cx	User choice to include thermal CX from file in the calculation	bool/bool arr	-/(num_metas)
scale_file_ioniz	Scale ionization in the adf04 files	bool/bool arr	-/(num_metas)
keep_charge_state_data	keep all of the data from the CR calculations not just GCRs	bool
td_t	User chosen time points to solve time dependent calculation	float arr	(user_chosen)
td_n0	User chosen initial level populations for TD calculation	float arr	(num_level)
source	User chosen source term for TD calculation	float arr	(num_level)
fils	files of adf04 files for the charge states of the species	str arr	(num_charge_states)

cr_data

key Name	Description	Data Type	Size
[‘gcrs’][‘X’]	GCR coefficients for a given charge state X	dict	(num_charge)
stage_data	Dictionary with all data from individual charge CR calculations	dict	(user chosen)

[‘gcrs’][‘X’]

key Name	Description	Data Type	Size
scd	effective ionization rate (ion cm3 s-1)	float arr	(len(metas), len(metas_plus), user_temp,user_dens)
acd	effective recombination rate (recomb cm3 s-1)	float arr	(len(metas), len(metas_plus), user_temp,user_dens)
qcd	metastable cross coupling coefficient (cm3 s-1)	float arr	(len(metas), len(metas), user_temp, user_dens)
xcd	parent metastable cross coupling coefficient (cm3 s-1)	float arr	(len(metas_plus), len(metas_plus), user_temp, user_dens)
ccd	charge exchange recombination coefficient (cm3 s-1)	float arr	(len(metas_plus), len(metas_plus), user_temp, user_dens)

processed

key Name	Description	Data Type	Size
pops_ss	steady state populations for the charge states	float arr	(num_charge, user_temp, user dens)
pops_td	time changing state populations for the charge states	float arr	(num_charge, num_times, user_temp, user dens)
pops_td_source	time changing state populations for the charge states with source term	float arr	(num_charge, num_times, user_temp, user dens)
eigen_val	Eigen values for the ionization balance matrix	float arr	(num_charge, user_temp, user dens)
eigen_vec	Eigen vectors for the ionization balance matrix	float arr	(num_charge, user_temp, user dens)