Atomic spectrum #1: Atomic partition functions¶
- The architecture allows multiple sources of partition functions each of which can be used with any atomic databank. The source is specified by the
pfsourceparameter ofSpectrumFactory. There are currently 3 sources implemented: ‘barklem’: an interpolator that uses a table of partition functions from [Barklem-&-Collet-2016]
‘kurucz’ an interpolator that uses a table of partition functions provided with some Kurucz linelists
‘nist’ a calculator that calculates the partition function from a table of energy levels provided by NIST
The partition functions from all 3 sources depend on temperature, but those from ‘kurucz’ also depend on potential lowering, which can be set with the potential_lowering parameter of SpectrumFactory.
The default pfsource is ‘nist’. It can be changed on the fly using the set_atomic_partition_functions() method, and the potential lowering for ‘kurucz’ can be modified on the fly by changing the sf.input.potential_lowering attribute of the SpectrumFactory instance sf. The changes are reflected the next time a partition function is calculated.
Allowable values for potential_lowering are usually (in cm-1/Zeff**2): -500, -1000, -2000, -4000, -8000, -16000, -32000.
import traceback
from radis import calc_spectrum
T_high = 50000 # K
s, sf = calc_spectrum(
205,
263,
wunit="nm",
species="Y_I",
Tgas=T_high,
databank="kurucz",
pfsource="nist",
return_factory=True,
save_memory=False, # to be able to recalculate spectra with the same SpectrumFactory
)
s.plot("radiance_noslit", wunit="cm-1")
/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/misc/warning.py:435: UserWarning: The required columns for Kurucz don't match those of existing moleculear databases, so all columns are being loaded
warnings.warn(WarningType(message))
Attempting to download http://kurucz.harvard.edu/atoms/3900/gf3900.all
- Downloading gf3900.all (1/1)
Downloading: 0%| | 0.00/848k [00:00<?, ?B/s]
Downloading: 13%|█▎ | 112k/848k [00:00<00:00, 1.05MB/s]
Downloading: 65%|██████▌ | 552k/848k [00:00<00:00, 2.87MB/s]
Downloading: 100%|██████████| 848k/848k [00:00<00:00, 3.53MB/s]
Successfully downloaded http://kurucz.harvard.edu/atoms/3900/gf3900.all
Added Kurucz-Y_I database in /home/docs/radis.json
- Downloading energy1.pl?spectrum=Y_I&units=0&format=3&output=0&level_out=on&g_out=on (1/1)
Downloading: 0.00B [00:00, ?B/s]
Downloading: 3.99kB [00:00, 151kB/s]
3.22s - Loaded database
Calculating Equilibrium Spectrum
Physical Conditions
----------------------------------------
Tgas 50000 K
isotope 0
medium air
mole_fraction 1
path_length 1 cm
pressure 1.01325 bar
self_absorption True
species Y_I
state X
wavenum_max 48764.8634 cm-1
wavenum_min 38011.4779 cm-1
Computation Parameters
----------------------------------------
Tref 296 K
add_at_used numpy
broadening_method voigt_poly
cutoff 1e-27 cm-1/(#.cm-2)
dbformat kurucz
dbpath /home/docs/.radisdb/kurucz/Y_I-gf3900.h5
diluent H
folding_thresh 1e-06
include_neighbouring_lines True
isatom True
isneutral True
lbfunc None
memory_mapping_engine auto
neighbour_lines 0 cm-1
optimization simple
parsum_mode full summation
pfsource nist
potential_lowering None
pseudo_continuum_threshold 0
sparse_ldm True
truncation 50 cm-1
waveunit cm-1
wstep 0.01 cm-1
zero_padding 1075340
----------------------------------------
0.19s - Spectrum calculated
<matplotlib.lines.Line2D object at 0x73bbeacbf8c0>
We can change the pfsource to ‘kurucz’:
sf.set_atomic_partition_functions("kurucz")
- Downloading partfn3900.dat (1/1)
Downloading: 0%| | 0.00/30.5k [00:00<?, ?B/s]
Downloading: 100%|██████████| 30.5k/30.5k [00:00<00:00, 1.21MB/s]
but if we run anything that attempts to calculate a partition function, we get an error:
try:
sf.eq_spectrum(T_high)
except Exception:
print(traceback.format_exc())
Traceback (most recent call last):
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/examples/1_Spectra_handling/plot_1partitionFunction_potentialLowering.py", line 49, in <module>
sf.eq_spectrum(T_high)
~~~~~~~~~~~~~~^^^^^^^^
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/lbl/factory.py", line 872, in eq_spectrum
self.calc_linestrength_eq(Tgas) # scales S0 to S (equivalent to S0 in code)
~~~~~~~~~~~~~~~~~~~~~~~~~^^^^^^
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/lbl/base.py", line 2604, in calc_linestrength_eq
df1.A, df1.gu, df1.El, Ia, df1.wav, self.Qgas(df1, Tgas), Tgas
~~~~~~~~~^^^^^^^^^^^
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/lbl/base.py", line 2412, in Qgas
Q = self.parsum.at(Tgas, self.input.potential_lowering)
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/levels/partfunc.py", line 1182, in at
raise Exception("Please specify the potential lowering.")
Exception: Please specify the potential lowering.
until we specify the potential lowering:
sf.input.potential_lowering = (
-500
) # any of [-500, -1000, -2000, -4000, -8000, -16000, -32000]
s2 = sf.eq_spectrum(T_high)
s2.plot("radiance_noslit", wunit="cm-1")
Calculating Equilibrium Spectrum
Physical Conditions
----------------------------------------
Tgas 50000 K
isotope 0
medium air
mole_fraction 1
path_length 1 cm
pressure 1.01325 bar
self_absorption True
species Y_I
state X
wavenum_max 48764.8634 cm-1
wavenum_min 38011.4779 cm-1
Computation Parameters
----------------------------------------
Tref 296 K
add_at_used numpy
broadening_method voigt_poly
cutoff 1e-27 cm-1/(#.cm-2)
dbformat kurucz
dbpath /home/docs/.radisdb/kurucz/Y_I-gf3900.h5
diluent H
folding_thresh 1e-06
include_neighbouring_lines True
isatom True
isneutral True
lbfunc None
memory_mapping_engine auto
neighbour_lines 0 cm-1
optimization simple
parsum_mode full summation
pfsource kurucz
potential_lowering -500
pseudo_continuum_threshold 0
sparse_ldm True
truncation 50 cm-1
waveunit cm-1
wstep 0.01 cm-1
zero_padding 1075340
----------------------------------------
0.18s - Spectrum calculated
<matplotlib.lines.Line2D object at 0x73bbe1e53770>
In this case, 50 000 K is beyond the maximal temperature in ‘barklem’.
sf.set_atomic_partition_functions("barklem")
try:
sf.eq_spectrum(T_high)
except ValueError:
print(traceback.format_exc())
Traceback (most recent call last):
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/examples/1_Spectra_handling/plot_1partitionFunction_potentialLowering.py", line 69, in <module>
sf.eq_spectrum(T_high)
~~~~~~~~~~~~~~^^^^^^^^
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/lbl/factory.py", line 872, in eq_spectrum
self.calc_linestrength_eq(Tgas) # scales S0 to S (equivalent to S0 in code)
~~~~~~~~~~~~~~~~~~~~~~~~~^^^^^^
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/lbl/base.py", line 2604, in calc_linestrength_eq
df1.A, df1.gu, df1.El, Ia, df1.wav, self.Qgas(df1, Tgas), Tgas
~~~~~~~~~^^^^^^^^^^^
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/lbl/base.py", line 2414, in Qgas
Q = self.parsum.at(Tgas)
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/levels/partfunc.py", line 166, in at
return self._at(T)
~~~~~~~~^^^
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/levels/partfunc.py", line 1241, in _at
raise OutOfBoundError(
f"The temperature {T} K is outside the tabulated range of the partition functions [{Temp.min()}, {Temp.max()}] K for Barklem & Collet (2016)"
)
radis.misc.warning.OutOfBoundError: The temperature 50000 K is outside the tabulated range of the partition functions [1e-05, 10000.0] K for Barklem & Collet (2016)
In this case, 99 K is within the temperature range of ‘barklem’:
T_low = 99 # K
s2 = sf.eq_spectrum(Tgas=T_low)
s2.plot("radiance_noslit", wunit="cm-1")
/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/misc/warning.py:435: AccuracyWarning: Some lines are too narrow (FWHM ~ 0.029 cm⁻¹) for the current spectral grid (wstep=0.01). Please reduce wstep to below 0.0096 cm⁻¹. You can use wstep='auto' to get the optimal spectral grid value. You can also ignore by setting `warnings={'AccuracyWarning':'ignore'}` or change the 'GRIDPOINTS_PER_LINEWIDTH_WARN_THRESHOLD' key of radis.config / your ~/radis.json (if you know what you're doing!)
warnings.warn(WarningType(message))
Calculating Equilibrium Spectrum
Physical Conditions
----------------------------------------
Tgas 99 K
isotope 0
medium air
mole_fraction 1
path_length 1 cm
pressure 1.01325 bar
self_absorption True
species Y_I
state X
wavenum_max 48764.8634 cm-1
wavenum_min 38011.4779 cm-1
Computation Parameters
----------------------------------------
Tref 296 K
add_at_used numpy
broadening_method voigt_poly
cutoff 1e-27 cm-1/(#.cm-2)
dbformat kurucz
dbpath /home/docs/.radisdb/kurucz/Y_I-gf3900.h5
diluent H
folding_thresh 1e-06
include_neighbouring_lines True
isatom True
isneutral True
lbfunc None
memory_mapping_engine auto
neighbour_lines 0 cm-1
optimization simple
parsum_mode full summation
pfsource barklem
potential_lowering -500
pseudo_continuum_threshold 0
sparse_ldm True
truncation 50 cm-1
waveunit cm-1
wstep 0.01 cm-1
zero_padding 1075340
----------------------------------------
0.17s - Spectrum calculated
<matplotlib.lines.Line2D object at 0x73bc37b323c0>
However, 99 K is not within the temperature range of ‘kurucz’:
sf.set_atomic_partition_functions(
"kurucz"
) # potential lowering is still -500 from above
try:
sf.eq_spectrum(Tgas=T_low)
except ValueError:
print(traceback.format_exc())
Traceback (most recent call last):
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/examples/1_Spectra_handling/plot_1partitionFunction_potentialLowering.py", line 87, in <module>
sf.eq_spectrum(Tgas=T_low)
~~~~~~~~~~~~~~^^^^^^^^^^^^
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/lbl/factory.py", line 872, in eq_spectrum
self.calc_linestrength_eq(Tgas) # scales S0 to S (equivalent to S0 in code)
~~~~~~~~~~~~~~~~~~~~~~~~~^^^^^^
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/lbl/base.py", line 2604, in calc_linestrength_eq
df1.A, df1.gu, df1.El, Ia, df1.wav, self.Qgas(df1, Tgas), Tgas
~~~~~~~~~^^^^^^^^^^^
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/lbl/base.py", line 2412, in Qgas
Q = self.parsum.at(Tgas, self.input.potential_lowering)
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/levels/partfunc.py", line 1196, in at
raise OutOfBoundError(
f"The temperature {T} K is outside the tabulated range of the partition functions [{Temp.min()}, {Temp.max()}] K for Kurucz"
)
radis.misc.warning.OutOfBoundError: The temperature 99 K is outside the tabulated range of the partition functions [100.0, 208930.0] K for Kurucz
Specifying a value for the potential lowering that isn’t present in the tables just returns a KeyError when attempting to calculate:
sf.input.potential_lowering = -1100
try:
sf.eq_spectrum(4000)
except KeyError:
print(traceback.format_exc())
Available values of potential lowering:
-500, -1000, -2000, -4000, -8000, -16000, -32000
Traceback (most recent call last):
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/conda/latest/lib/python3.14/site-packages/pandas/core/indexes/base.py", line 3641, in get_loc
return self._engine.get_loc(casted_key)
~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^
File "pandas/_libs/index.pyx", line 168, in pandas._libs.index.IndexEngine.get_loc
File "pandas/_libs/index.pyx", line 197, in pandas._libs.index.IndexEngine.get_loc
File "pandas/_libs/hashtable_class_helper.pxi", line 7668, in pandas._libs.hashtable.PyObjectHashTable.get_item
File "pandas/_libs/hashtable_class_helper.pxi", line 7676, in pandas._libs.hashtable.PyObjectHashTable.get_item
KeyError: '-1100'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/examples/1_Spectra_handling/plot_1partitionFunction_potentialLowering.py", line 97, in <module>
sf.eq_spectrum(4000)
~~~~~~~~~~~~~~^^^^^^
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/lbl/factory.py", line 872, in eq_spectrum
self.calc_linestrength_eq(Tgas) # scales S0 to S (equivalent to S0 in code)
~~~~~~~~~~~~~~~~~~~~~~~~~^^^^^^
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/lbl/base.py", line 2604, in calc_linestrength_eq
df1.A, df1.gu, df1.El, Ia, df1.wav, self.Qgas(df1, Tgas), Tgas
~~~~~~~~~^^^^^^^^^^^
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/lbl/base.py", line 2412, in Qgas
Q = self.parsum.at(Tgas, self.input.potential_lowering)
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/levels/partfunc.py", line 1186, in at
Qvals = self.partfn[f"{potential_lowering}"]
~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/conda/latest/lib/python3.14/site-packages/pandas/core/frame.py", line 4378, in __getitem__
indexer = self.columns.get_loc(key)
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/conda/latest/lib/python3.14/site-packages/pandas/core/indexes/base.py", line 3648, in get_loc
raise KeyError(key) from err
KeyError: '-1100'
Partition functions could also be available for a species from one source but not another, e.g. available from ‘barklem’:
s, sf = calc_spectrum(
39000,
40000,
species="Os_II",
Tgas=4000,
databank="kurucz",
pfsource="barklem",
return_factory=True,
save_memory=False,
)
s.plot("radiance_noslit", wunit="cm-1")
/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/misc/warning.py:435: UserWarning: The required columns for Kurucz don't match those of existing moleculear databases, so all columns are being loaded
warnings.warn(WarningType(message))
Attempting to download http://kurucz.harvard.edu/atoms/7601/gf7601.all
- Downloading gf7601.all (1/1)
Error downloading http://kurucz.harvard.edu/atoms/7601/gf7601.all: Unable to access the resource (HEAD request). Expected HTTP status code 200, got 404 for URL: http://kurucz.harvard.edu/atoms/7601/gf7601.all. Please verify the URL and your network access permissions.
Attempting to download http://kurucz.harvard.edu/atoms/7601/gf7601.pos
- Downloading gf7601.pos (1/1)
Error downloading http://kurucz.harvard.edu/atoms/7601/gf7601.pos: Unable to access the resource (HEAD request). Expected HTTP status code 200, got 404 for URL: http://kurucz.harvard.edu/atoms/7601/gf7601.pos. Please verify the URL and your network access permissions.
Attempting to download http://kurucz.harvard.edu/linelists/gfall/gf7601.all
- Downloading gf7601.all (1/1)
Downloading: 0%| | 0.00/5.30k [00:00<?, ?B/s]
Downloading: 100%|██████████| 5.30k/5.30k [00:00<00:00, 245MB/s]
Successfully downloaded http://kurucz.harvard.edu/linelists/gfall/gf7601.all
Added Kurucz-Os_II database in /home/docs/radis.json
0.35s - Loaded database
Calculating Equilibrium Spectrum
Physical Conditions
----------------------------------------
Tgas 4000 K
isotope 0
medium air
mole_fraction 1
path_length 1 cm
pressure 1.01325 bar
self_absorption True
species Os_II
state X
wavenum_max 40000.0000 cm-1
wavenum_min 39000.0000 cm-1
Computation Parameters
----------------------------------------
Tref 296 K
add_at_used numpy
broadening_method voigt_poly
cutoff 1e-27 cm-1/(#.cm-2)
dbformat kurucz
dbpath /home/docs/.radisdb/kurucz/Os_II-gf7601.h5
diluent H
folding_thresh 1e-06
include_neighbouring_lines True
isatom True
isneutral False
lbfunc None
memory_mapping_engine auto
neighbour_lines 0 cm-1
optimization simple
parsum_mode full summation
pfsource barklem
potential_lowering None
pseudo_continuum_threshold 0
sparse_ldm True
truncation 50 cm-1
waveunit cm-1
wstep 0.01 cm-1
zero_padding 100002
----------------------------------------
0.58s - Spectrum calculated
<matplotlib.lines.Line2D object at 0x73bbe202cad0>
but not from ‘kurucz’, resulting in a warning when you try to set it as the pfsource:
sf.set_atomic_partition_functions(
"kurucz"
) # setting `potential_lowering` is irrelevant as the tables aren't even available
- Downloading partfn7601.dat (1/1)
a partition function file specific to this species was not found
/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/misc/warning.py:435: UserWarning: `pfsource` kurucz is not available for the species Os_II. Try running `set_atomic_partition_functions` again with a different `pfsource`.
warnings.warn(WarningType(message))
and an error if we attempt to calculate:
try:
sf.eq_spectrum(4000)
except Exception:
print(traceback.format_exc())
Traceback (most recent call last):
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/examples/1_Spectra_handling/plot_1partitionFunction_potentialLowering.py", line 131, in <module>
sf.eq_spectrum(4000)
~~~~~~~~~~~~~~^^^^^^
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/lbl/factory.py", line 872, in eq_spectrum
self.calc_linestrength_eq(Tgas) # scales S0 to S (equivalent to S0 in code)
~~~~~~~~~~~~~~~~~~~~~~~~~^^^^^^
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/lbl/base.py", line 2604, in calc_linestrength_eq
df1.A, df1.gu, df1.El, Ia, df1.wav, self.Qgas(df1, Tgas), Tgas
~~~~~~~~~^^^^^^^^^^^
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/lbl/base.py", line 2412, in Qgas
Q = self.parsum.at(Tgas, self.input.potential_lowering)
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/levels/partfunc.py", line 1178, in at
raise Exception(
"Kurucz partition functions are unavailable for this species."
)
Exception: Kurucz partition functions are unavailable for this species.
An example of the opposite, where ‘kurucz’ does include the species “Y_V”:
def lbfunc1(
**kwargs,
): # an arbitrary broadening formula as NIST databank requires `lbfunc`
return 0.1 * (296 / kwargs["Tgas"]) ** 0.7, None
s, sf = calc_spectrum(
40000,
50000,
species="Y_V",
Tgas=4000,
databank="nist",
lbfunc=lbfunc1,
cutoff=0,
pfsource="kurucz",
potential_lowering=-1000,
return_factory=True,
save_memory=False,
)
s.plot("radiance_noslit", wunit="cm-1")
/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/misc/warning.py:435: UserWarning: The required columns for NIST don't match those of existing moleculear databases, so all columns are being loaded
warnings.warn(WarningType(message))
- Downloading lines1.pl?spectra=Y_V&low_w=&upp_w=&unit=1&format=3&line_out=1&en_unit=0&output=0&show_calc_wl=1&order_out=0&show_av=2&A_out=0&allowed_out=1&forbid_out=1&enrg_out=on&g_out=on (1/1)
Downloading: 0.00B [00:00, ?B/s]
Downloading: 21.6kB [00:00, 221kB/s]
Downloading: 31.8kB [00:00, 190kB/s]
Added NIST-Y_V database in /home/docs/radis.json
- Downloading partfn3904.dat (1/1)
Downloading: 0%| | 0.00/30.5k [00:00<?, ?B/s]
Downloading: 100%|██████████| 30.5k/30.5k [00:00<00:00, 1.13MB/s]
1.91s - Loaded database
/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/misc/warning.py:435: UserWarning: wavenumber shift not given in database: assumed 0 shift
warnings.warn(WarningType(message))
Calculating Equilibrium Spectrum
Physical Conditions
----------------------------------------
Tgas 4000 K
isotope 0
medium air
mole_fraction 1
path_length 1 cm
pressure 1.01325 bar
self_absorption True
species Y_V
state X
wavenum_max 50000.0000 cm-1
wavenum_min 40000.0000 cm-1
Computation Parameters
----------------------------------------
Tref 296 K
add_at_used numpy
broadening_method voigt_poly
cutoff 0 cm-1/(#.cm-2)
dbformat nist
dbpath /home/docs/.radisdb/NIST/Y_V-lines1.h5
diluent H
folding_thresh 1e-06
include_neighbouring_lines True
isatom True
isneutral False
lbfunc <function lbfunc1 at 0x73bbe201b740>
memory_mapping_engine auto
neighbour_lines 0 cm-1
optimization simple
parsum_mode full summation
pfsource kurucz
potential_lowering -1000
pseudo_continuum_threshold 0
sparse_ldm True
truncation 50 cm-1
waveunit cm-1
wstep 0.01 cm-1
zero_padding 1000002
----------------------------------------
0.09s - Spectrum calculated
<matplotlib.lines.Line2D object at 0x73bbe8262f90>
but ‘barklem’ doesn’t:
sf.set_atomic_partition_functions("barklem")
try:
sf.eq_spectrum(4000)
except Exception:
print(traceback.format_exc())
/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/levels/partfunc.py:1220: UserWarning: Note: the partition functions from Barklem & Collet (2016) don't include this species.
warn(
/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/misc/warning.py:435: UserWarning: `pfsource` barklem is not available for the species Y_V. Try running `set_atomic_partition_functions` again with a different `pfsource`.
warnings.warn(WarningType(message))
Traceback (most recent call last):
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/examples/1_Spectra_handling/plot_1partitionFunction_potentialLowering.py", line 168, in <module>
sf.eq_spectrum(4000)
~~~~~~~~~~~~~~^^^^^^
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/lbl/factory.py", line 872, in eq_spectrum
self.calc_linestrength_eq(Tgas) # scales S0 to S (equivalent to S0 in code)
~~~~~~~~~~~~~~~~~~~~~~~~~^^^^^^
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/lbl/base.py", line 2604, in calc_linestrength_eq
df1.A, df1.gu, df1.El, Ia, df1.wav, self.Qgas(df1, Tgas), Tgas
~~~~~~~~~^^^^^^^^^^^
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/lbl/base.py", line 2414, in Qgas
Q = self.parsum.at(Tgas)
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/levels/partfunc.py", line 166, in at
return self._at(T)
~~~~~~~~^^^
File "/home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/levels/partfunc.py", line 1233, in _at
raise Exception(
"The partition functions from Barklem & Collet (2016) don't include this species"
)
Exception: The partition functions from Barklem & Collet (2016) don't include this species
References¶
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