.. DO NOT EDIT. .. THIS FILE WAS AUTOMATICALLY GENERATED BY SPHINX-GALLERY. .. TO MAKE CHANGES, EDIT THE SOURCE PYTHON FILE: .. "auto_examples/1_Spectra_handling/plot_1partitionFunction_potentialLowering.py" .. LINE NUMBERS ARE GIVEN BELOW. .. only:: html .. note:: :class: sphx-glr-download-link-note You can download :ref:`below ` the full example code. and run it with ๐Ÿ”ฌ `Radis-Lab `__, .. rst-class:: sphx-glr-example-title .. _sphx_glr_auto_examples_1_Spectra_handling_plot_1partitionFunction_potentialLowering.py: .. _example_potential_lowering_pfs: ======================== 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 `pfsource` parameter of :py:class:`~radis.lbl.factory.SpectrumFactory`. 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 :py:class:`~radis.lbl.factory.SpectrumFactory`. The default `pfsource` is 'nist'. It can be changed on the fly using the :meth:`~radis.lbl.loader.DatabankLoader.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 :py:class:`~radis.lbl.factory.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. .. GENERATED FROM PYTHON SOURCE LINES 20-39 .. code-block:: Python 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") .. image-sg:: /auto_examples/1_Spectra_handling/images/sphx_glr_plot_1partitionFunction_potentialLowering_001.png :alt: plot 1partitionFunction potentialLowering :srcset: /auto_examples/1_Spectra_handling/images/sphx_glr_plot_1partitionFunction_potentialLowering_001.png :class: sphx-glr-single-img .. rst-class:: sphx-glr-script-out .. code-block:: none /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 .. GENERATED FROM PYTHON SOURCE LINES 40-42 We can change the `pfsource` to 'kurucz': .. GENERATED FROM PYTHON SOURCE LINES 42-44 .. code-block:: Python sf.set_atomic_partition_functions("kurucz") .. rst-class:: sphx-glr-script-out .. code-block:: none - Downloading partfn3900.dat (1/1) Downloading: 0%| | 0.00/30.5k [00:00 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. .. GENERATED FROM PYTHON SOURCE LINES 54-56 until we specify the potential lowering: .. GENERATED FROM PYTHON SOURCE LINES 56-63 .. code-block:: Python 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") .. image-sg:: /auto_examples/1_Spectra_handling/images/sphx_glr_plot_1partitionFunction_potentialLowering_002.png :alt: plot 1partitionFunction potentialLowering :srcset: /auto_examples/1_Spectra_handling/images/sphx_glr_plot_1partitionFunction_potentialLowering_002.png :class: sphx-glr-single-img .. rst-class:: sphx-glr-script-out .. code-block:: none 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 .. GENERATED FROM PYTHON SOURCE LINES 64-66 In this case, 50 000 K is beyond the maximal temperature in 'barklem'. .. GENERATED FROM PYTHON SOURCE LINES 66-72 .. code-block:: Python sf.set_atomic_partition_functions("barklem") try: sf.eq_spectrum(T_high) except ValueError: print(traceback.format_exc()) .. rst-class:: sphx-glr-script-out .. code-block:: none 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 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) .. GENERATED FROM PYTHON SOURCE LINES 73-75 In this case, 99 K is within the temperature range of 'barklem': .. GENERATED FROM PYTHON SOURCE LINES 75-79 .. code-block:: Python T_low = 99 # K s2 = sf.eq_spectrum(Tgas=T_low) s2.plot("radiance_noslit", wunit="cm-1") .. image-sg:: /auto_examples/1_Spectra_handling/images/sphx_glr_plot_1partitionFunction_potentialLowering_003.png :alt: plot 1partitionFunction potentialLowering :srcset: /auto_examples/1_Spectra_handling/images/sphx_glr_plot_1partitionFunction_potentialLowering_003.png :class: sphx-glr-single-img .. rst-class:: sphx-glr-script-out .. code-block:: none /home/docs/checkouts/readthedocs.org/user_builds/radis/checkouts/latest/radis/misc/warning.py:435: AccuracyWarning: Some lines are too narrow (FWHM ~ 0.029 cmโปยน) for the current spectral grid (wstep=0.01). Please reduce wstep to below 0.0096 cmโปยน. 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 .. GENERATED FROM PYTHON SOURCE LINES 80-82 However, 99 K is *not* within the temperature range of 'kurucz': .. GENERATED FROM PYTHON SOURCE LINES 82-91 .. code-block:: Python 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()) .. rst-class:: sphx-glr-script-out .. code-block:: none 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 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 .. GENERATED FROM PYTHON SOURCE LINES 92-94 Specifying a value for the potential lowering that isn't present in the tables just returns a KeyError when attempting to calculate: .. GENERATED FROM PYTHON SOURCE LINES 94-101 .. code-block:: Python sf.input.potential_lowering = -1100 try: sf.eq_spectrum(4000) except KeyError: print(traceback.format_exc()) .. rst-class:: sphx-glr-script-out .. code-block:: none 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 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' .. GENERATED FROM PYTHON SOURCE LINES 102-104 Partition functions could also be available for a species from one source but not another, e.g. available from 'barklem': .. GENERATED FROM PYTHON SOURCE LINES 104-118 .. code-block:: Python 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") .. image-sg:: /auto_examples/1_Spectra_handling/images/sphx_glr_plot_1partitionFunction_potentialLowering_004.png :alt: plot 1partitionFunction potentialLowering :srcset: /auto_examples/1_Spectra_handling/images/sphx_glr_plot_1partitionFunction_potentialLowering_004.png :class: sphx-glr-single-img .. rst-class:: sphx-glr-script-out .. code-block:: none /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 .. GENERATED FROM PYTHON SOURCE LINES 119-121 but not from 'kurucz', resulting in a warning when you try to set it as the `pfsource`: .. GENERATED FROM PYTHON SOURCE LINES 121-126 .. code-block:: Python sf.set_atomic_partition_functions( "kurucz" ) # setting `potential_lowering` is irrelevant as the tables aren't even available .. rst-class:: sphx-glr-script-out .. code-block:: none - 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)) .. GENERATED FROM PYTHON SOURCE LINES 127-129 and an error if we attempt to calculate: .. GENERATED FROM PYTHON SOURCE LINES 129-135 .. code-block:: Python try: sf.eq_spectrum(4000) except Exception: print(traceback.format_exc()) .. rst-class:: sphx-glr-script-out .. code-block:: none 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 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. .. GENERATED FROM PYTHON SOURCE LINES 136-138 An example of the opposite, where 'kurucz' does include the species "Y_V": .. GENERATED FROM PYTHON SOURCE LINES 138-162 .. code-block:: Python 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") .. image-sg:: /auto_examples/1_Spectra_handling/images/sphx_glr_plot_1partitionFunction_potentialLowering_005.png :alt: plot 1partitionFunction potentialLowering :srcset: /auto_examples/1_Spectra_handling/images/sphx_glr_plot_1partitionFunction_potentialLowering_005.png :class: sphx-glr-single-img .. rst-class:: sphx-glr-script-out .. code-block:: none /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 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 .. GENERATED FROM PYTHON SOURCE LINES 163-165 but 'barklem' doesn't: .. GENERATED FROM PYTHON SOURCE LINES 165-172 .. code-block:: Python sf.set_atomic_partition_functions("barklem") try: sf.eq_spectrum(4000) except Exception: print(traceback.format_exc()) .. rst-class:: sphx-glr-script-out .. code-block:: none /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 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 .. GENERATED FROM PYTHON SOURCE LINES 173-176 References ---------- .. [Barklem-&-Collet-2016] `"Partition functions and equilibrium constants for diatomic molecules and atoms of astrophysical interest" `_ .. rst-class:: sphx-glr-timing **Total running time of the script:** (0 minutes 8.537 seconds) .. _sphx_glr_download_auto_examples_1_Spectra_handling_plot_1partitionFunction_potentialLowering.py: .. only:: html .. container:: sphx-glr-footer sphx-glr-footer-example .. container:: sphx-glr-download sphx-glr-download-jupyter :download:`Download Jupyter notebook: plot_1partitionFunction_potentialLowering.ipynb ` .. container:: sphx-glr-download sphx-glr-download-python :download:`Download Python source code: plot_1partitionFunction_potentialLowering.py ` .. container:: sphx-glr-download sphx-glr-download-zip :download:`Download zipped: plot_1partitionFunction_potentialLowering.zip `