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0.14

08 Nov 12:47
@anandxkumar anandxkumar
0.14
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0.14 Latest
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Description

The major release 0.14 after 0.13, brings essential fixes to the interface, and the final implementations of the Google Summer of Code 2022 new features with gallery examples.

Main changes :

  • non air mixtures automatically taken into account when using Hitran #495
  • fitting modules examples #520
  • Radis now uses a common API with Exojax to fetch databases

Pull Request Link: #532

What's Changed

Features:

Docs:

New Contributors

Full Changelog: 0.13.1...0.14

Contributors

HajimeKawahara, erwanp, and 3 other contributors
Assets 2

0.13.1

28 Aug 22:01
@erwanp erwanp
0.13.1
23b2533
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0.13.1

Description

Intermediary version between 0.13 and 0.14, brings important fixes to the experimental GPU mode, many other interface fixes, as well as the first implementations of the Google Summer of Code 2022 new features.

Pull Request : #517

What's Changed

Features:

  • Fetch hitran update by @Supriya1702 in #505 : you can now fetch non-air broadening parameters, as well as any other parameter available in the HITRAN database.
from radis.io.hitran import fetch_hitran

df = fetch_hitran("CO",["n_CO2","gamma_CO2"])
print(df)
print(df.columns)

image

Performance:

  • Chunk size implementation for DIT Algorithm loops for Broadening by @sagarchotalia in #489 : allows to compute extreme amount of lines on limited RAM systems.
  • update chunksize test to make it faster - and RT minor perf improvement by @erwanp in #503

Interface:

  • Added warning and help improvement for get_population, update line survey, add example by @minouHub in #512

Fixes:

Docs:

Refactor:

  • DBManager Refactor and simplification of ExoMol MdBMol by @erwanp in #465 : first step before Common-API with Exojax.
  • Refactor extra molecular parameters by @erwanp in #516 . Simplification of the radis.config file.

Full Changelog: 0.13.0...0.13.1

📣 Other News

  • Extreme amounts of change and improvement in Radis-App, have a look . Web app : https://radis.app/ ; Source Code : https://github.com/suzil/radis-app
  • We presented Radis at the ASA-HITRAN 2022 conference. The records from the conference are not available, but a rehearsal video is available in our new Youtube channel above. We discuss the history, goals, features, algorithms, latest changes and future of Radis.

Contributors

dcmvdbekerom, erwanp, and 5 other contributors
Assets 2

0.13.0

16 May 22:57
@erwanp erwanp
0.13.0
5988d9e
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0.13.0

Spring release 🌱

Pull request details : #472

🔬 (Physics) Features

s = calc_spectrum(1000 / u.cm, 10000 / u.cm,
                   molecule="CH4",
                   mole_fraction=1900e-9,
                   isotope='1,2,3',
                   wstep='auto',
                   pressure=1.01325 * u.bar,
                   Tgas=296 * u.K,
                   path_length=100 * u.cm,
                    databank='geisa',    # GEISA-2020 
                   verbose=False,
                   export_lines=True,
                   )
import matplotlib.pyplot as plt
plt.figure(figsize=(12,6))
s.plot("xsection", yscale='log', nfig='same')
s.line_survey()

image

GEISA database can be accessed as a Pandas DataFrame using fetch_geisa() :

from radis.io.geisa import fetch_geisa
df = fetch_geisa("H2O")
print(df)
                 wav           int  airbrd  ...  ierrT Tdpnself ierrU
0           0.052583  2.154000e-33  0.0923  ...    0.0    -0.99 -0.99
1           0.181997  2.486000e-35  0.0399  ...    0.0    -0.99 -0.99
2           0.184013  8.470000e-36  0.0399  ...    0.0    -0.99 -0.99
3           0.187637  5.255000e-29  0.0900  ...    0.0    -0.99 -0.99
4           0.363402  2.041100e-33  0.0800  ...    0.0    -0.99 -0.99
             ...           ...     ...  ...    ...      ...   ...
362217  25332.871900  8.100000e-28  0.1056  ...    0.0    -0.99 -0.99
362218  25333.215510  1.560000e-28  0.1078  ...    0.0    -0.99 -0.99
362219  25334.143900  4.750000e-28  0.0905  ...    0.0    -0.99 -0.99
362220  25335.071700  8.260000e-28  0.1102  ...    0.0    -0.99 -0.99
362221  25336.948790  7.170000e-29  0.1125  ...    0.0    -0.99 -0.99

[362222 rows x 31 columns]

⚙️User-interface

  • #467 radiance & emisscoeff units are now consistent with waverange unit ; i.e. plotting in cm-1 will yield a default radiance in ~mW/cm2/sr/cm-1 while plotting in nm will yield a default radiance in ~mW/cm2/sr/nm @AllanHOlesenBW (major refactor under the hood)
  • #448 normalize options
  • #471 line-survey works for multiple molecules
from radis import calc_spectrum
import astropy.units as u

s4 = calc_spectrum(1950 / u.cm, 1980 / u.cm,
                   mole_fraction={'CH4':1900e-9, 'CO2':400e-6},
                    isotope='1,2,3',
                    pressure=1.01325 * u.bar,
                    Tgas=296 * u.K,
                    path_length=100 * u.cm,
                    databank='geisa',
                    verbose=False,
                    export_lines=True)

s4.line_survey(overlay='abscoeff', barwidth=0.001)

image

🏃 Performance improvement

  • #464 : less RAM usage when generating ExoMol database files.

🐛 Bug fixes

📝 Documentation

Detail

Full Changelog: 0.12.1...0.13.0

Contributors

erwanp, TranHuuNhatHuy, and 4 other contributors
Assets 2

0.12.1

13 Apr 12:15
@erwanp erwanp
0.12.1
1cc969e
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0.12.1

Fix of 0.12.0

Main physics change:

  • the default lineshape optimization routine is changed ; the new one being more robust. It will improve accuracy for extremelly thin lineshapes. ( #421 and #422)

What's Changed

Features :

  • Implement astropy unit conversion to rescale_path_length() by @TranHuuNhatHuy in #445
  • update defaults (vaex as default HDF5 library, DIT weights=simple as default optimization routine) by @erwanp in #422

Fixes :

New Contributors

Full Changelog: 0.11.1...0.12.1

Contributors

dcmvdbekerom, erwanp, and 7 other contributors
Assets 2

0.12.0

22 Jan 14:23
@erwanp erwanp
0.12.0
b77cd75
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0.12.0

0.12.0

Christmas release 🎅 , adding GPU support as well as many new small features and improvements, and an important bug fix for HITRAN users.

See PR #415

Changes since 0.11.1 (November 2021) :

🔬 (Physics) Features

nothing new

⚙️User-interface

  • #380 GPU widgets are released ! 🎉
gpu-sliders-CO2.mp4
  • #414 : support for cross-sections
>>> s = radis.test_spectrum()
>>> s.plot("xsection")

COspectrum2502421670720 new quantities added: ['xsection']

image

  • #413 automatically compute spectral array if possible ; no need to "update".
# will always work if possible :
s.take("abscoeff"/"emisscoeff"/"xsection"/"transmittance_noslit"/ etc.)
s.plot("abscoeff"/"emisscoeff"/"xsection"/"transmittance_noslit"/ etc.)
s.get("abscoeff"/"emisscoeff"/"xsection"/"transmittance_noslit"/ etc.)

🏃 Performance improvement

  • #380 unleashes the power of the GPU !

🐛 Bug fixes

  • #416 important : all large-range HITRAN calculations of 0.11 may have had missing lines
  • #408
  • #410

📝 Documentation

🏁 CI / Dev / Tests

nothing new

🏗️ Refactor / change in architecture

nothing new

Full Changelog: 0.11.1...0.12.0

Contributors

Springder
Assets 2

0.11.1

15 Nov 16:18
@erwanp erwanp
0.11.1
8605d64
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0.11.1

Hotfix of 0.11.0

What's Changed

Full Changelog: 0.11.0...0.11.1

Contributors

erwanp and minouHub
Assets 2

0.11.0

14 Nov 21:01
@erwanp erwanp
0.11.0
20e0733
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0.11.0

0.11.0

Last major release of 2021 with extreme performance improvements when computing large range spectra. And by large range, we mean full-range, i.e. 0 - 30,000 cm-1 !

See PR #400

Changes since 0.10.3 (September 2021) :

🔬 (Physics) Features

  • #394 : ExoMol works for isotopes
  • #394 : add isotopic abundance in ExoMol calculations [Important ! calculations other than main isotopologue were not valid for ExoMol in 0.10.3 ]
  • #394 : add default molar_mass, abundances & full-isotope name for all 85 ExoMol species that are not present in HITRAN
  • #394 : when not available abundances of molecules are computed from a simple model based on isotopic terrestrial abundance of elements (scripts are available in test_molecule_lists)
  • #398 re-add broadening for ExoMol molecules

⚙️User-interface

  • #394 : auto-fetch the full molecule & isotopes list from ExoMol website
  • #394 simplify calc_spectrum waverange input : default is now to use wmin, wmax (unit-aware), instead of wavenum_min, wavenum_max or wavelength_min, wavelength_max (old parameters still work)
  • 399 bridge to/from Specutils
spectrum = s.to_specutils()
...
from radis import Spectrum
Spectrum.from_specutils(spectrum)
  • #399 option to return SpectrumFactory used in a calc_spectrum computation
s, sf = calc_spectrum(.... ,return_factory=True
sf.df1     # lines used
  • #398 add fetch_hitran() which downloads all lines/isotopes of HITRAN database (Vaex compatible). It is included in calc_spectrum and SpectrumFactory.fetch_databank by default.
calc_spectrum(..., databank=("hitran", "full"))   # predownload full database & isotopes (once for all)
calc_spectrum(..., databank=("hitran", "range"))   # download only the required the range & isotope
  • #396
  • #395 s = s/s2.max() # works with units
  • #378 write/load Spectrum in HDF5 (the fastest way) with metadata
s.to_hdf5()
Spectrum.from_hdf5()
  • #378 Spectrum to pandas
s.to_pandas()
  • #369 new get_baseline functions
sb = s_exp.get_baseline(algorithm="als")
s_exp.plot()
sb.plot(nfig="same", lw=3)

image

🏃 Performance improvement

  • ⭐ #398 make vaex the default memory-mapping-engine for radis (Spyder IDE-users: you may want to deactivate this until spyder-ide/spyder#16183 is fixed. There is a new key in the config file for that!)
  • ⭐ #398 only load required columns by default (makes it 8-20x faster to load databases)

Example : full HITEMP-CO2 database (0 - 30,000 cm-1 loaded in 5s instead of 80 !)

  • #394 download HITRAN full-range makes HITRAN calculations faster (no more download after the first time)
  • ⭐ #386 #388 make it possible to compute full-range spectra : RADIS automatically switches to a sparse-wavenumber implementation of the DLM/DIT algorithm, based on a scarcity criterion Ngridpoints/Nlines > 1

CO2/H2O full range, computed from HITRAN, for a 1-km homogeneous layer of atmosphere at 300 K, 1 bar

import astropy.units as u

from radis import calc_spectrum
calc_spectrum(
    wmin=0.5 * u.um,
    wmax=15 * u.um,  # cm-1
    mole_fraction={"CO2": 420e-6, "H2O": 0.02},
    isotope="1,2,3",
    pressure=1.01325,  # bar
    Tgas=300,  # K
    path_length=1e5,  # 1 km in cm
    verbose=2,
    databank="hitran",
    wstep="auto",
)

image

🐛 Bug fixes

📝 Documentation

🏁 CI / Dev / Tests

nothing new

🏗️ Refactor / change in architecture

  • #392 : of how we compute partition functions

What's Changed

Full Changelog: 0.10.3...0.11.0

Contributors

gh4ag, erwanp, and 3 other contributors
Assets 2

0.10.3

02 Oct 15:04
@erwanp erwanp
0.10.3
93ab2a5
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0.10.3

0.10.3

Minor update of 0.10 with a very important fix if you're combining equilibrium & non-equilibrium spectra with MergeSlabs

(see pull request : #375 )

Changes since 0.10.1 (August 2021) :

🔬 (Physics) Features

⚙️User-interface

Nothing new

🏃 Performance improvement

  • #373 parallel download & parsing of CO2/H2O HITEMP files, activated by default, by @brendandrury

🐛 Bug fixes

📝 Documentation

🏁 CI / Dev / Tests

Nothing here

🏗️ Refactor / change in architecture

Not here neither

Contributors

Springder, minouHub, and 2 other contributors
Assets 2

0.10.2

30 Aug 10:53
@erwanp erwanp
0.10.2
080b46f
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0.10.2

Fixing packaging of 0.10.0 #273

Assets 2

0.10.1

26 Aug 19:07
@erwanp erwanp
0.10.1
2e0779f
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0.10.1

0.10.0

(see Pull request and code changes here)

4th release of RADIS in 2021, and the largest so far !

New physics with ExoMol support, by-default truncations to account for subLorentzian behaviors, custom abundances for non-terrestrial atmospheres. Major improvements in performances (reduced memory consumption, faster database loading, up to 10x faster small CPU spectra, large range spectra are 2-30x faster, 3500x faster nonequilibrium partition functions). A few handy features for post-processing (custom plotting themes, ruler tool) or for the calculations (automatic wavenumber grid, fitting methods, new profiler, new choice of truncation & effect of neighbour lines), and even a new method to automatically cite the papers that contributed to your calculation ! 🏃

And also, lot's of new Examples of what can be done with RADIS :

image

10 people contributed to this version, including the major works of @anandxkumar and @gagan-aryan on their OpenAstronomy GSOC-2021 projects. 👏

🐦 Twitter feed

Changes since 0.9.29 (April 2021) :

🔬 (Physics) Features

  • #319, #320 ExoMol Support
  • #340, #343 Adds default line truncation at 50 cm-1 to account for sublorentzian behaviors in the far wings. Chi-factors will be implemented in the next version.
  • #301 for non terrestrial atmospheres

Also notice that the HITRAN team has completed major additions to the database (see "Database Update" on the the HITRAN website), and these are available in RADIS with databank='hitran'

⚙️User-interface

  • #251 cutoff=None is valid and means cutoff=0
  • #250 Automatic wavenumber grid resolution with wstep='auto' (see Performance)
  • #281
  • #291 a ruler to measure offsets or linewidths directly on RADIS plot(show_ruler=True) and plot_diff(show_ruler=True)
  • RADIS updated to support Fitroom, a multi-dimensional fit environment. See the 1min-video
  • #348 to have your own plotting themes, like seaborn
  • #336 fitting functions, see the the fitting Examples
  • #343 : adds two independant parameters choice of truncation & effect of neighbour_lines (replaces the old parameter broadening_max_width
  • #345 : s.cite() to generate your Bibtex entry

🏃 Performance improvement

  • #250 Automatic wavenumber grid resolution by @anandxkumar : makes sure you always have the right balance in between accuracy and performance. Will become the default mode in 0.9.31, try it before by setting wstep='auto' in calc_spectrum or SpectrumFactory . Feedback welcome !
  • #233 #234 Fast Cython implementation of add_at in LDM method, by @dcmvdbekerom
  • #252 in SpectrumFactory, do not load rovibrational energies (needed for nonequilibrium calculations) unless we actually need nonequilibrium calculations
  • #286 : only downloads the HITEMP files you need, i.e., not the full wavenumber range.
  • #287 : reduced memory usage and up to 2x faster linestrength calculations by @gagan-aryan
  • #303 : about 20% faster to load .spec files
  • #304 up to 10x faster to calculate very small spectra (~1 cm-1), by @minouHub
  • #306 : up to x20 faster database loading with vaex engine
  • #309
  • #316 500-3500x faster nonequilibrium partition functions
  • #325 new profilers
  • #323 : 2-30x faster spectra in LDM+Voigt
  • #343 : LDM + Voigt becomes the default, making large range spectra 2-30x faster. See this benchmark by @anandxkumar

Note : some performance improvements are not activated by default in this version. See partfunc="tabulation" #316 , wstep='auto' #250 , or fetch_hitemp("OH", engine="vaex") #306 . Try them !

🐛 Bug fixes

📝 Documentation

🏁 CI / Dev / Tests

🏗️ Refactor / change in architecture

And also:

  • RADIS-Lab was updated with preconfigured HITEMP-H2O lines. Try it out, or share it : no install needed (will be updated in the coming days with RADIS 0.9.30 support).
  • #125 One can now chat with the community directly from the RADIS website. Ask all your questions !
  • @dcmvdbekerom gave a talk describing the DIT algorithm that powers RADIS. The 15-min video is available here.
  • an automatically differentiated version of the DIT algorithm has been implemented in the Exojax code by @HajimeKawahara, to model exoplanets, brown drafts and generally for inverse problems in radiative transfer. Have a look !

Contributors

dcmvdbekerom, gh4ag, and 6 other contributors
Assets 2
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