network

Fortran module: network

Parameters

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

Parameter	Type	Default	Description
beta	float64[(3421,)]	array(3421,)
bindingenergy	float64[(166,)]	array(166,)
diffusionbarrier	float64[(166,)]	array(166,)
exothermicities	float64[(3421,)]	array(3421,)
formationenthalpy	float64[(166,)]	array(166,)
gama	float64[(3421,)]	array(3421,)
inertiaproducts	float64[(166,)]	array(166,)
moleculeislinear	int32[(166,)]	array(166,)
storeratescomputation	<class 'numpy.ndarray'>	0
surfgrowthuncorrected	<class 'numpy.ndarray'>	0.0

Constants (Read-Only)

Fortran PARAMETER constants (compile-time values):

Constant	Type	Value
alpha	float64[(3421,)]	array(3421,)
atomcounts	int32[(335,)]	array(335,)
bulklist	int32[(83,)]	array(83,)
bulkswapreacs	int32[(2,)]	[ 1 83]
crphotreacs	int32[(2,)]	[124 363]
crpreacs	int32[(2,)]	[ 84 123]
crsreacs	int32[(2,)]	[99999 99999]
customvdes	float64[(166,)]	array(166,)
customvdiff	float64[(166,)]	array(166,)
descrreacs	int32[(2,)]	[364 446]
desoh2reacs	int32[(2,)]	[447 529]
desorbreacs	int32[(2,)]	[99999 99999]
deuvcrreacs	int32[(2,)]	[530 612]
edreacs	int32[(2,)]	[613 614]
elem_count	int32[(335, 9)]	array(335, 9)
elem_names	bytes16[(9,)]	array(9,)
enablechemicalheating	<class 'numpy.ndarray'>	0
erdescorrespondingerreacs	int32[(2,)]	[615 615]
erdesreacs	int32[(2,)]	[616 616]
erreacs	int32[(2,)]	[615 615]
exrelaxreacs	int32[(2,)]	[99999 99999]
exsolidreacs	int32[(2,)]	[99999 99999]
extrapolaterates	int32[(3421,)]	array(3421,)
freezepartners	int32[(83,)]	array(83,)
freezereacs	int32[(2,)]	[617 783]
garparams	float64[(6, 7)]	array(6, 7)
garreacs	int32[(2,)]	[784 789]
gasicelist	int32[(166,)]	array(166,)
h2formreacs	int32[(2,)]	[790 790]
icelist	int32[(166,)]	array(166,)
ionopol1reacs	int32[(2,)]	[99999 99999]
ionopol2reacs	int32[(2,)]	[99999 99999]
lhdescorrespondinglhreacs	int32[(56,)]	array(56,)
lhdesreacs	int32[(2,)]	[883 938]
lhreacs	int32[(2,)]	[791 882]
mass	float64[(335,)]	array(335,)
maxtemps	float64[(3421,)]	array(3421,)
mintemps	float64[(3421,)]	array(3421,)
monofractions	float64[(83,)]	array(83,)
n13c	<class 'numpy.ndarray'>	336
n15n	<class 'numpy.ndarray'>	336
n18o	<class 'numpy.ndarray'>	336
n_elem_tracked	<class 'numpy.ndarray'>	9
nbulk	<class 'numpy.ndarray'>	334
nc	<class 'numpy.ndarray'>	9
nch3oh	<class 'numpy.ndarray'>	79
ncl	<class 'numpy.ndarray'>	95
nclx	<class 'numpy.ndarray'>	96
nco	<class 'numpy.ndarray'>	50
ncx	<class 'numpy.ndarray'>	10
nd	<class 'numpy.ndarray'>	336
nelec	<class 'numpy.ndarray'>	333
nf	<class 'numpy.ndarray'>	336
nfe	<class 'numpy.ndarray'>	336
ngh	<class 'numpy.ndarray'>	167
ngh2	<class 'numpy.ndarray'>	168
ngn	<class 'numpy.ndarray'>	173
ngo	<class 'numpy.ndarray'>	178
ngoh	<class 'numpy.ndarray'>	180
nh	<class 'numpy.ndarray'>	1
nh2	<class 'numpy.ndarray'>	3
nh2o	<class 'numpy.ndarray'>	32
nhe	<class 'numpy.ndarray'>	6
nhex	<class 'numpy.ndarray'>	7
nhx	<class 'numpy.ndarray'>	2
nli	<class 'numpy.ndarray'>	336
nmg	<class 'numpy.ndarray'>	38
nmgx	<class 'numpy.ndarray'>	39
nn	<class 'numpy.ndarray'>	15
nna	<class 'numpy.ndarray'>	336
nnx	<class 'numpy.ndarray'>	16
no	<class 'numpy.ndarray'>	25
nox	<class 'numpy.ndarray'>	26
np	<class 'numpy.ndarray'>	336
npah	<class 'numpy.ndarray'>	336
nr_c_hv	<class 'numpy.ndarray'>	1067
nr_co_hv	<class 'numpy.ndarray'>	1111
nr_efreeze	<class 'numpy.ndarray'>	666
nr_h2_crp	<class 'numpy.ndarray'>	120
nr_h2_ed	<class 'numpy.ndarray'>	614
nr_h2_hv	<class 'numpy.ndarray'>	1117
nr_h2form_ct	<class 'numpy.ndarray'>	790
nr_h2form_er	<class 'numpy.ndarray'>	615
nr_h2form_erdes	<class 'numpy.ndarray'>	616
nr_h2form_lh	<class 'numpy.ndarray'>	797
nr_h2form_lhdes	<class 'numpy.ndarray'>	891
nr_h2freeze	<class 'numpy.ndarray'>	669
nr_h_ed	<class 'numpy.ndarray'>	613
nr_hfreeze	<class 'numpy.ndarray'>	667
ns	<class 'numpy.ndarray'>	83
nsi	<class 'numpy.ndarray'>	56
nsix	<class 'numpy.ndarray'>	57
nsurface	<class 'numpy.ndarray'>	335
nsx	<class 'numpy.ndarray'>	84
p1	int32[(3421,)]	array(3421,)
p2	int32[(3421,)]	array(3421,)
p3	int32[(3421,)]	array(3421,)
p4	int32[(3421,)]	array(3421,)
photonreacs	int32[(2,)]	[ 939 1205]
re1	int32[(3421,)]	array(3421,)
re2	int32[(3421,)]	array(3421,)
re3	int32[(3421,)]	array(3421,)
reducedmasses	float64[(3421,)]	array(3421,)
refractorylist	int32[(1,)]	[-999]
solidfractions	float64[(83,)]	array(83,)
specname	bytes56[(335,)]	array(335,)
surfacelist	int32[(83,)]	array(83,)
surfswapreacs	int32[(2,)]	[1206 1287]
thermreacs	int32[(2,)]	[1288 1453]
three_phase	<class 'numpy.ndarray'>	1
twobodyreacs	int32[(2,)]	[1454 3421]
volcanicfractions	float64[(83,)]	array(83,)

Internal Variables

Internal solver variables (advanced)

Variable	Type	Current Value
reactionrate	float64[(1,)]	[0.]

Runtime Access

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