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github.com/radis/radis

🌱 A fast line-by-line code for high-resolution infrared molecular spectra
https://github.com/radis/radis

(wip) keep only relevant files (for given wavenumber range)

c6a8ecf0326661080143ffccb26154b64bcb4328 authored over 3 years ago
Add zip opener to datasource

03ad85ac35488c7796c70d73f54e17fa8a7e0c77 authored over 3 years ago
added support for multiple files

9307db366ae39e298e2bfa0e9c38c07682e7aa9c authored over 3 years ago
define return type of parse_HITRAN_class5 as float64

24f574d81849c04604f0b4342eb40492b798f5cb authored over 3 years ago
Update hitemp.py

f01697ff99778921f2b3a831e1bea98794fac387 authored over 3 years ago
add a scaling parameter to reduce the number of bins in high-dimension partitino function tabulatino grids

ensure overall accuracy is 1% | reduces memory of the grid by x10 with 3 Tvib

a6cb971c743874d149657f7e216f35498bf34606 authored over 3 years ago
Merge pull request #337 from erwanp/fix/misc_docs_and_imports

Fix/misc docs, examples & imports

74c9883d0063060a3bca799a0753eb03b2312b3a authored over 3 years ago
(misc) clean prints

91668575869635fd3aa5fb911d672bd72262cace authored over 3 years ago
delay vaex import

(saves 2s on import. check with code of https://github.com/radis/radis/pull/309)

8305020a2008e33b1ae7b38e876fe7ecded4cd52 authored over 3 years ago
cleaner import sequence of lbl module (should remove a cyclic import)

https://lgtm.com/projects/g/radis/radis/snapshot/5b0275caad53176177d2e7d3e9580d4900f4527e/files/r...

e498608a30b78e0e9cf1c407106abaea10e96486 authored over 3 years ago
:no-ci: update examples

017eb9027d28517f27deac5382a6d909fb8abf2b authored over 3 years ago
Merge pull request #336 from erwanp/add/update-fitting-functions

Update fitting functions, add new example, update fitting models

b06347a36abf36bae54660a70f3f2c1c560467ad authored over 3 years ago
fix docs

ce26cc1444fcfbdca87bfb6cae878a023e697a7d authored over 3 years ago
- improve/abstractized TRotModel models to LTEModel and .._nonLTE model.

Add fixed parameters directly in the model (slowly converging to a framework closer to Astropy...

4dc8f64223c006ca9f2077d58bcf6fc9ec92eb65 authored over 3 years ago
implement Treanor distribution for tabulated parsum mode

19857b169e2895a61985480c0cd786803d6736d5 authored over 3 years ago
added the initial guess to the print

f57bb8436d409c5b43120b765a9b89721e2a2fef authored over 3 years ago
fix inplace=False option in sort()

ef47b76cf7571525ed92d08bd11f13005411dbcd authored over 3 years ago
add verbose parameter

ec5ced9f91fde71886d988bb58c55b94dffe41b8 authored over 3 years ago
add 1-T fitting example

improve multi-T fitting example

8ed6a2be8ea1484ca8dff220b90f8841c84a1997 authored over 3 years ago
refactor get_diff/plot_diff functions to get default units

fix wunit problem in fitting()
remove some warnings & verbose shown during the fitting process

3e84d94dff7e1fef883613a869ec615b5bd046fa authored over 3 years ago
Adding wL and wG

57c2b62c3bb80816599a8ef29f5e5edbdc85b33f authored over 3 years ago
add 1-T fit example, 1-T fit model, update fitting function API

3ad4654e9244136b55b6a8316151bb49e78f996b authored over 3 years ago
add Spectrum.sort() method

add examples, mention chaining, update docs

f1378b0e9500c9ca8b1a35fee3a2478a4310dda5 authored over 3 years ago
plot hitemp OH

cb7a28d02c87d57f47a2e87cf30306cf769312a3 authored over 3 years ago
add download hitemp example

3f609c916671c847c9ab7d208f64c3e1c55c6288 authored over 3 years ago
(docs) improve , update front page

c0fb6d3f5edfc9b3a81bd20104ac97e456f3f026 authored over 3 years ago
(docs) improve

f1ffb2e7649552a01dd8b84c18cc8da33b795190 authored over 3 years ago
Merge pull request #335 from erwanp/fix/doc-api

Fix/doc api

781fb5282f7cf151aef8efbafc17c7da2ded2ae8 authored over 3 years ago
upgrade readthedocs python version

42c498f399bfb523362aa16146d008a4e3afc762 authored over 3 years ago
Merge pull request #334 from erwanp/add/fit-spectrum-method

Add fit spectrum method

75077b3d724a2d7b8592302f5c4c101182089f12 authored over 3 years ago
update fit_spectrum, add example

d27ed3db82670489ca1751cafc4258892e19ec83 authored over 3 years ago
Merge pull request #316 from erwanp/add/tabulated-parsum

add just-in-time tabulation of calculated (eq/non-LTE) partition functions

b310116c9cdd7c8a1ad2ac819ba54c57ee033220 authored over 3 years ago
add calculated partition function as attributes

fix tests

7641e157b78acab0af8f0df34ad5fcd761947ab4 authored over 3 years ago
implement jit-tabulated partition functions for 3Tvib

cc1f7287243bbccafee4a05bcba6014ac261e027 authored over 3 years ago
misc missing attribute declaration, minor improvemnts

058ee2f6e7aae736914b3e67c23b326af7b5f737 authored over 3 years ago
fix an error in Q_equilibrium (only used for power() calculations)

simplify syntax of Q() calculation with/without isotopes with the map(dict) approach

77b871ec90e6b009433b4addb6d8dc9a66dd1007 authored over 3 years ago
update partition function calculation mode if manually changed by user in factory

(misc) update test_population with pytest.raises syntax

0843c03f40278f31d16d82157a03d4f480ff7d06 authored over 3 years ago
added test if "export_rovib_fraction = True" and "tabulation"

sorted problem in test_populations

6c85a9ef0c3165b12c85688d9a60dd8b8bd27dff authored over 3 years ago
add user param parsum_mode in calc_spectrum and SpectrumFactory

add a test comparing 2 spectra computed with full-summation and tabulation
(misc) re-add :hardcod...

a7efb90e99956de8286053902568284c263b8ca7 authored over 3 years ago
(misc) improve astroquery error message

0b2bc4dcc4de91d78e11e7c7f70d86ae264aafec authored over 3 years ago
Merge remote-tracking branch 'origin/add/tabulated-parsum' into add/tabulated-parsum

9e07cd3cbb32c7d8a2f39ff2484e4bd7eb81f849 authored over 3 years ago
minors updates based on erwanp comments

eec394c5bae55476fadc408863c333e476a04ad1 authored over 3 years ago
fix test (update_populations wasn't taken into account)

new parameter : SpectrumFactory.misc.export_rovib_fraction to choose whether to compute nu_vib, n...

4b443b0b361638e6c0c8b8e75c7f9d7b1049017c authored over 3 years ago
added selection rule self.misc.parsum_mode == 'tabulation'

5926592e5a04818b0dd34a8bc1eb227ca96b8db7 authored over 3 years ago
add auto-tabulation of calculated partition functions

- choosing mode='tabulation' or (still default) mode='full summation'
'tabulation' is ~3500x fa...

4c40890c7ecbb55bfb38fba9397643b36b33e0b2 authored over 3 years ago
shows performance with print_perf_profile()

e84272da7ea45d70e9e33a8dc77ed52340a83955 authored over 3 years ago
update fitting, add title

230dc028898e471d921d1ac15c73726817707c65 authored over 3 years ago
add blit to show figures faster

0cafb0aeffb444d0f2696be21912e6ef4500169a authored over 3 years ago
initial working version of fit_spectrum

6f4725b398533989b71e71e983d79ddc8bab250c authored over 3 years ago
add doc API section

more links
fix a circular import

43373653e06dab43c89bceaacac87e6d2bdae215 authored over 3 years ago
Merge pull request #320 from erwanp/add/exomol_support

Add exomol support

9c290e7b8cfe46ed1d0f629f4e4a6b05054b3ec9 authored over 3 years ago
linting

5322c4973ba7ba6cf053bae74fabbfd63b450eed authored over 3 years ago
missing dependency

0fa5520506bb36df1c02557f5df18be16cd2a1df authored over 3 years ago
better fix

02c4acd5df5573205a84c8a75ed5af284bbf8374 authored over 3 years ago
better fix

b6ce2fae9df15a273078223137e8dd8c8f44557e authored over 3 years ago
fix path?

improve docs

82ba6e81b26a0cc83b834363259ae9077afd33b6 authored over 3 years ago
add missing parser

fix some docs

7d4b8d61fa4e6d1f104d9fd31805837fa1b77b47 authored over 3 years ago
clean

b4bdba5a5bbb5a0943d7943f79631821b463736c authored over 3 years ago
add two new Example Gallery (Exomol, HITEMP)

f41144e425f84041f9b6f310f83525b2747fbf75 authored over 3 years ago
proper implementation of HITRAN > ExoMol isotope name conversion, with regex

extra tests

7dd2599e41c8fde62860e690df7b9afdb7857194 authored over 3 years ago
Compute spectra from ExoMol for non-HITRAN molecules :

- allow calc_spectrum(..., databank='exomol') syntax
- use partition functions downloaded from Ex...

97fd4942f15b50039ecc172b5e4fbfcd5a94b95a authored over 3 years ago
add exomol test

fix some LGTM warnings

018537df0b8e0d0123a8ee58558e3645e4a093b8 authored over 3 years ago
adding other quantum numbers to the df file

(could be optional and for sure improved in term of memory)

85e943392fd39a9cad91ccfaf45188ab0f12a985 authored over 3 years ago
fix an error if not exomol mode ; refactor how id & iso columns are dropped

6791262ced841db5c50f5cda7c414dc6d2dbda87 authored over 3 years ago
fix

da68b26f96106dd71864d3f0295ba45a691fdcdb authored over 3 years ago
refactor : moved attributes of line Dataframes into the attr dictionary, i.E from `df.X` to `df.attrs[X]`

simplified code and removed useless chunks introduced to deal with multi-molecules (NotImplemented)

1771df15b3b32053145adb8b0cf50f65c1f4a50a authored over 3 years ago
new warnings if ad-hoc broadening parameters used

included j_low in df0

5c1014999977ea2fb7a2822a3f45b3e19e6301b6 authored over 3 years ago
improved exomol_format not parsing fuels correctly (e.g. CH4, C2H2)

added small test

a6e304f9c6f82595fe06d4f1c6c084f31783be1f authored over 3 years ago
H2CO database has been corrected by ExoMol

Removed the warnings

a37de7184afe3458a2fd8f2544981fb220ec8a1b authored over 3 years ago
quick fix if no extra quantum number

also reduced memory usage by loading only "K" (temporary)

64226a004723a531d75a728e9d4b212b44609879 authored over 3 years ago
special warning for H2CO in ExoMol

added raise if partfun or database is ExoMol but not both

57b0e11af36cb8755885955340370613106bfe47 authored over 3 years ago
fix typo creating broadening errors (thank you automated tests!)

3851a508bbfede580580346e876c1cca3afb2bc9 authored over 3 years ago
initial commit, code borrowed from exojax by @HajimeKawahara

bda5eb170740c6fd750dc309f5a50f4b0e52eebe authored over 3 years ago
parser to ExoMol website to fetch any molecule, any isotope, and get the proper isotope fullname

add parsing tests
update supported molecules with some extra molecules not in HITRAN (so far: FeH)

ae3b22ff95ccb4e926f2a484e8c59e361c32df2d authored over 3 years ago
call ExoMol from SpectrumFactory

03c8c7c87933704d65721a32542e9c09f89b853c authored over 3 years ago
working proof-of-concept :

- add new warnings where Pressure Lineshift or Resonant broadening missing from database
- conver...

da6c71771f4a31784a3a72b8abd94e06ffeccd57 authored over 3 years ago
(wip) exomol support in radis

fdc92e840cc8cda3431dfea6a8efa0bf16477a62 authored over 3 years ago
call ExoMol from SpectrumFactory

ce37d8477dff014a9b77556e8af73f329e2eb2fa authored over 3 years ago
init commit, borrowed from exojax

b5cd01d41b16ab1b1941b989e4f775ba0ecb6a4d authored over 3 years ago
initial commit, file borrowed from exojax

3945c476f2e4a800d1a2c6c0e300a5837b5e37bd authored over 3 years ago
Merge pull request #333 from erwanp/fix/docs-warnings-references-and-imports

Fix docs warnings, links in examples, and proper imports

d91d7fdb5ccb4249335da57396b5686b7ace6398 authored over 3 years ago
fix tests

ff136b856ab166096fd527946a155637fc41f934 authored over 3 years ago
standardize imports the right away, using __all__

fixes mapping of references to functions & methods in examples ; probably helps IDE completion too

dc553f832b9e17e74f492b17cc1550d2b9513717 authored over 3 years ago
auto-test all examples with pytest

improve docs

aa50a5b569bc560489312132a3d6472d7cb2ab10 authored over 3 years ago
fix warnings in docs, fix duplicate references added with ..include

f3187073d7d8afaf1906397852512ebb7c0054e7 authored over 3 years ago
Merge pull request #332 from anandxkumar/profiler-sum

Appends calculation time if same key/step is executed

abc587493666a1f88e0310e620d3e841e3bd383f authored over 3 years ago
Updated docs and deleting spectrum.prof after test execution

ed567a751f737c0628bf9f9c6f9e93557529b69d authored over 3 years ago
Modified Algo

7b8c25fae95c5f27634e9ad71f55797145cc33be authored over 3 years ago
Appends calculation time for if same key is executed

9422f1f34f83335daf1f2a02ace73ea47ef43de3 authored over 3 years ago
Merge pull request #325 from erwanp/add/tuna-profiler

new profiler + use tuna 🐟 to generate visual/interactive performance profiles

142bb9f9c6beccd57f408fa43c18544d8f4c3884 authored over 3 years ago
added missing time as "others"

baad16208643af52210b8f9b4529b470ba1eaa09 authored over 3 years ago
fix indentation

3030a018e5512502f1da99992e6520200992082f authored over 3 years ago
Merge pull request #331 from erwanp/add/fix-docs

Improve docs

80e3fde84cbb931631d1d5a4e5f7ab0a481107ef authored over 3 years ago
fix Databank example

update docs

b580991cb7d53300f590f5bd343c30489c478ee4 authored over 3 years ago
always visible + scrollable sidebar in docs

545b3633b72c8a1186191d4949e44073fcccd39d authored over 3 years ago
(docs) update tags

ce10a4710da275308f5ab80d047a8db29517669a authored over 3 years ago
re-add blank spaces

07e3dc34d79817f7abbf77ee1192a3d7e32c1bd5 authored over 3 years ago
fix some SpecDatabase related links

2438d48ebd56bbf1d4974a59c2f30cf4a9fa40d2 authored over 3 years ago
reset searchbox to sphinx default

076cf6e4b5546b5e1a44b0b96ec59f53b1707173 authored over 3 years ago
fix sidebar that appeared twice

654a8232172e673a51624adf505c569b47ce71c5 authored over 3 years ago