chemistry

Fortran module: chemistry

Parameters

User-configurable parameters (can be set via param_dict):

Parameter	Type	Default	Description
ccol	<class 'numpy.ndarray'>	0.0
ccoltocell	<class 'numpy.ndarray'>	0.0
cocol	<class 'numpy.ndarray'>	0.0
cocoltocell	<class 'numpy.ndarray'>	0.0
dvode_cpu_end	<class 'numpy.ndarray'>	0.0
dvode_cpu_start	<class 'numpy.ndarray'>	0.0
dvode_cpu_time	<class 'numpy.ndarray'>	0.0
dvode_istate_out	<class 'numpy.ndarray'>	0
dvode_istats	int32[(31,)]	array(31,)
dvode_rstats	float64[(22,)]	array(22,)
f_callback_error	<class 'numpy.ndarray'>	0
failedintegrationcounter	<class 'numpy.ndarray'>	0
h2col	<class 'numpy.ndarray'>	0.0
h2coltocell	<class 'numpy.ndarray'>	0.0
h2form	<class 'numpy.ndarray'>	0.0
i	<class 'numpy.ndarray'>	0
ionlist	int32[(335,)]	array(335,)
istate	<class 'numpy.ndarray'>	0
itask	<class 'numpy.ndarray'>	0
j	<class 'numpy.ndarray'>	0
l	<class 'numpy.ndarray'>	0
lastdusttemp	<class 'numpy.ndarray'>	0.0
lastgastemp	<class 'numpy.ndarray'>	0.0
loopcounter	<class 'numpy.ndarray'>	0
min_abund	<class 'numpy.ndarray'>	1e-30
neq	<class 'numpy.ndarray'>	0
nion	<class 'numpy.ndarray'>	0
nummonolayers	<class 'numpy.ndarray'>	0.0
oldtemp	<class 'numpy.ndarray'>	0.0
points	<class 'numpy.ndarray'>	1
previntegrationtemp	<class 'numpy.ndarray'>	0.0
rate	float64[(3421,)]	array(3421,)
ratiosurfacetobulk	<class 'numpy.ndarray'>	0.0
solver_stats_counter	<class 'numpy.ndarray'>	0
tempdot	<class 'numpy.ndarray'>	0.0
writecounter	<class 'numpy.ndarray'>	0

Constants (Read-Only)

Fortran PARAMETER constants (compile-time values):

Constant	Type	Value
dp	<class 'numpy.ndarray'>	8
maxconsecutivefailures	<class 'numpy.ndarray'>	10
maxloops	<class 'numpy.ndarray'>	10

Runtime Access

Access chemistry parameters at runtime using uclchem.advanced.GeneralSettings(). See Accessing Fortran Parameters on the main Fortran API page for examples.