github.com/radis/radis commits | Ecosyste.ms: OpenCollective

(docs) fix labels for internal hyperlinks

333747b1c8cb0f681101ee6b61e987570c7d9572 authored about 5 years ago by Erwan <[email protected]>

(docs) fix links

d230bf3b597b89256d3d6cbaef88b424d3af358f authored about 5 years ago by Erwan <[email protected]>

(docs) fix links, fix features, made nice feature list for post-processing methods, mention Q&A Forum

c247dd3b476ce4237fc1c03b80d4daca3cc470ba authored about 5 years ago by Erwan <[email protected]>

(docs) improve references to the Spectrum object guide

6f87bfb95ed3fadd2deb9636b6dff90a202a9608 authored about 5 years ago by Erwan <[email protected]>

(docs) clarify features, add more examples in the Advanced section

a1acf5fed74a32430ec2d1e1842cc0398d4021eb authored about 5 years ago by Erwan <[email protected]>

add config.json in manifest to fix Doc generation error (links not clickable)

ecf76ef15840176376cc582ada5209fa0b5fe0c6 authored about 5 years ago by Erwan <[email protected]>

add example for custom spectroscopic constants

878678853ffe7638bce799bdb7e63323517e17be authored about 5 years ago by Erwan <[email protected]>

fix errors

e244b347ecdd20bfb953170ab3f9bb6dda9a5c9a authored about 5 years ago by Erwan <[email protected]>

fix errors

474cb08bf4ce930694122a1f402258482a5af002 authored about 5 years ago by Erwan <[email protected]>

Merge branch 'co2_new_constants' into develop

1609964285583f9a718d19efd067614d3837216a authored about 5 years ago by Erwan <[email protected]>

update error messages

d9f05c9359f32a2d2360fba1ca4b49acb1721fd1 authored about 5 years ago by Erwan <[email protected]>

other sets of constants in the default folder will work

(Molecule has to be edited manually in the user script)

85a61c2d89520304e1a3a9fbd8698fea7641cdf2 authored about 5 years ago by Erwan <[email protected]>

update cache file name for levels to be able to store one cache file per set of constants

c03d69da96bc7d0e47045a95c05400f4b6044c0c authored about 5 years ago by Erwan <[email protected]>

refactor: electronic states now defined with json file for rovib constants, that file is stored

17ddfbdea695b6613a181579e347196a525bf064 authored about 5 years ago by Erwan <[email protected]>

refactor: for default spectroscopic constant file, use the one defined in config.json

12e40dd03ab4ff3f63c7a0413571ff2cdf580d73 authored about 5 years ago by Erwan <[email protected]>

(misc)

bfd6f9a71028ae9efe835047083da40c4c202ba9 authored about 5 years ago by Erwan <[email protected]>

explicitely write stored metadata + add rovib_constants to metadata for cache files

27b493bca08d024fb2b1524d284967b125c590ec authored about 5 years ago by Erwan <[email protected]>

(clean, comment)

608d97874de53c58ca896ba6e46dc129cb40e4c5 authored about 5 years ago by Erwan <[email protected]>

add new config.json file (refactor in progress: everything will be added there)

de944d34419b47e40b5d629419be474a3788063a authored about 5 years ago by Erwan <[email protected]>

add similar tools markdown

4c86e3828795f7d7794cdbec932398d4947352ae authored about 5 years ago by Erwan <[email protected]>

add Gordon and McCubbin constants

658e975dcef387689323b821ae9f18366ef58b15 authored about 5 years ago by Erwan <[email protected]>

moved CO2 spectrosopic constant in separate file

be29d57d09173721f0d0d2b316471791b02c54cb authored about 5 years ago by Erwan <[email protected]>

delete cache file & continue if a problem happens with Astroquery

a6094f9530f016b46dd668f3aeddc353de314bb3 authored about 5 years ago by Erwan <[email protected]>

(docs) removed cache for github stars

0f56d6f7875b8ac352a75c47752fd2398292b858 authored about 5 years ago by Erwan <[email protected]>

(docs) improved DLM description + reference constants

9f9eecf1d400afff272aab682d60ad993813554b authored about 5 years ago by Erwan <[email protected]>

add sort option when loading experimental data

1b597f005ff4ac4e8392870a0a82f2d81ac92a6d authored about 5 years ago by Erwan <[email protected]>

Merge pull request #48 from maillardj/master

Dunham coeff, energies co2

bc82db60d558f6580b5bbd6b51926f31ff372a77 authored over 5 years ago by Erwan Pannier <[email protected]>

Error message changed

deaeb2555da50ba967d8d9cb4e6d92c6eda07d5c authored over 5 years ago by Jean Maillard <[email protected]>

Improves doc of energies_CO2

68d6458c30bca500ff82d0ea3adda4872ca12ab7 authored over 5 years ago by Jean Maillard <[email protected]>

Update README.rst

d0caebc11b47a6c6762d8311fa51ae07f8ccec2e authored over 5 years ago by Erwan Pannier <[email protected]>

Update README.rst

3421a1653a141709f59c7b63352d183f95e15429 authored over 5 years ago by Erwan Pannier <[email protected]>

Update README.rst

fb4c492c24f4fbad22ebbad0b2aa3e56ed3e7435 authored over 5 years ago by Erwan Pannier <[email protected]>

(docs) update

0fbd5f6697ccd1351698ac476e03896fb3791c42 authored over 5 years ago by Erwan <[email protected]>

(docs) reduce warnings, update description, update Github button on the website

86b31e94613c1dd85b0efc544e5b3703ab3d1927 authored over 5 years ago by Erwan <[email protected]>

(docs) "other spectroscopic tools" directly references the awesome-spectra repo

110e65ee5355291a1f38306a4e2bcd912ea0d4cb authored over 5 years ago by Erwan <[email protected]>

update tests, update hardcoded reference to account for small change with use of tabulated Qref (< 0.05%)

dc018d034fdd2fe6ca1082a415f3079586a9f490 authored over 5 years ago by Erwan <[email protected]>

in noneq mode, calculation of Q(Tref) is now done with tabulated partition functions if possible. Greatly improve performances

38cb32520b29db76333d6796d0e340f0648d789a authored over 5 years ago by Erwan <[email protected]>

(misc) more details on performance + cleaned some other lines

481f9db62fb087dd9ea532124a32fde553fd7494 authored over 5 years ago by Erwan <[email protected]>

perf: recreate line dataframe self.df1 after linestrength cutoff (performance improvement during first operation in calc_lineshift() )

fcdb97e3acd9bd5049312895c82fc6a50b426f85 authored over 5 years ago by Erwan <[email protected]>

(misc) print performance with 2 digits (useful for benchmark of small spectra), improve docs

0507962b571e368da302b115e90b70440a9b786c authored over 5 years ago by Erwan <[email protected]>

improve partfunc performance by combining exponentials

f8706226921c7ba577e1687730042fe9f3aba4b9 authored over 5 years ago by Erwan <[email protected]>

more docs on CDSD-HITEMP / HITEMP-2010, Fixes #44

a3aa1cbc3b9bd4829766830cc0fbebfa4c324e22 authored over 5 years ago by Erwan <[email protected]>

improvement of CDSD-HITEMP format reading:

- renamed 'cdsd' as 'cdsd-hitemp', 'cdsd4000' as 'cdsd-4000'
- Documented under KNOWN_DBFORMATS d...

ada5a9f9923417822e3655e76f0149ec5224ebc2 authored over 5 years ago by Erwan <[email protected]>

(misc) clean some warnings, update docs, update readme (add downloads)

fdb0b0614c21dd9840aa075d7c5a00d54ba0c3fc authored over 5 years ago by Erwan <[email protected]>

Fixed wrong behavior of 's1 > s2 > s3'. Fixes #42

84f2aad2226854badc43d0fb50a038c430831b93 authored over 5 years ago by Erwan <[email protected]>

(misc) docs

a6ba183ba3cdc312b808b440d20a57d248f050c3 authored over 5 years ago by Erwan <[email protected]>

fix contributor not appearing in Github?

Co-authored-by: Dirk van den Bekerom <[email protected]>

c62e5d9e3f8bd936065f5545039e5b2165cfcda3 authored over 5 years ago by Erwan <[email protected]>

fix contributor not appearing in Github?

Co-authored-by: Dirk van den Bekerom <[email protected]>

f151c621345914869d1dca825c7e01f5fa3ac3cc authored over 5 years ago by Erwan <[email protected]>

Merge pull request #40 from radis/develop

minor patch of 0.9.20

9b9e9a8b93704350d3aa4aa198db955f4e3c2030 authored over 5 years ago by Erwan Pannier <[email protected]>

minor patch of 0.9.20

87023e64db5ecc370140032a89ec051237c00b65 authored over 5 years ago by Erwan <[email protected]>

Merge pull request #39 from radis/develop

0.9.20

Co-authored-by: Dirk van den Bekerom <[email protected]>

ee83bfdb25a443b4f1a3f0f7a3bfdf46a0539a2c authored over 5 years ago by Erwan Pannier <[email protected]>

Merge branch 'master' into develop

55741e2fe0f392c5c68c5c021b66e1bc2a498e48 authored over 5 years ago by Erwan Pannier <[email protected]>

Merge pull request #38 from radis/dlm

DLM

Co-authored-by: Dirk van den Bekerom <[email protected]>

35aa712d4a27163cde53eff2082ee8580e405677 authored over 5 years ago by Erwan Pannier <[email protected]>

referenced v.d.Bekerom as DLM author

Co-authored-by: Dirk van den Bekerom <[email protected]>

e4a9d00747207bb3b9c9a1e5b24e892c38328949 authored over 5 years ago by Erwan <[email protected]>

remove plot & slit from calc_spectrum, more docs

e40e1aa79bf4881c4300a103b9e24dc7401710f8 authored over 5 years ago by Erwan <[email protected]>

(docs) update

adacd1ea3579f0eb07a0df5407f2e5c519e65404 authored over 5 years ago by Erwan <[email protected]>

(misc) reduce warnings, switch back the linedatabase used in test_calc to HITRAN (and updated reference accordingly)

cd567b8ec5ca2033c631856e408f729de32d46a8 authored over 5 years ago by Erwan <[email protected]>

updated reference following fix in 120c579

cd92a9590198fd01b9eb16e9e053b98e8c412c65 authored over 5 years ago by Erwan <[email protected]>

implemented DLM for per-band calculations

52cfe327d33d20fd8001b9f86428a73c363ac45b authored over 5 years ago by Erwan <[email protected]>

fix index error introduced in 5de0c68 (13/08/19) which impacts all spectra calculated without DLM.

Updated hardcoded test accordingly

120c579eb363abcccdd47bb9137df536b49a4e4b authored over 5 years ago by Erwan <[email protected]>

(misc) better parsing of version numbers

6a79b56a07d592e1cbb46a438b500420c9837624 authored over 5 years ago by Erwan <[email protected]>

(docs) update links

ba402ddf0cbf5d0a44c1492b1345f24854667bdf authored over 5 years ago by Erwan <[email protected]>

feature: fetch databank (auto-download from HITRAN) now creates a cache file by default, so that database is downloaded only once when running the same script (in astroquery.cache_location folder)

ce60a51de26d8ced00d4b5e32cdf0c7713242c62 authored over 5 years ago by Erwan <[email protected]>

(clean) remove 'auto' and tempfile option in database loading (was developed specifically for huge databases like CDSD-4000)

d04f1e9407d56209b32e1ef249b1ebeea25dfe5d authored over 5 years ago by Erwan <[email protected]>

FFT is now the default when using DLM (which itself is the default in calc_spectrum)

Updated reference spectra consequently

9cb3a8bfdeba290706a7472dd8b66bd675c6e026 authored over 5 years ago by Erwan <[email protected]>

implemented FFT version for DLM, added and pass tests

127d38dfe09996c2c8cdea0d8fc45366ff22a04c authored over 5 years ago by Erwan <[email protected]>

(misc) update test

07f6c5bf4a6312a580a4207ab6986b2ae5379d84 authored over 5 years ago by Erwan <[email protected]>

added (failing) comparison with FFT in test_broadening. FFT not implemented yet.

092f88d57af40ebee8dfb22e4ad18b6f5b5f3404 authored over 5 years ago by Erwan <[email protected]>

updated version number to prepare for 0.9.20, updated test_factory hardcoded reference test to reflect the changes (ex: intensity distributed over 2 lines rather than 1, even without DLM > tiny numerical differences). Total calculation time 6s > 2s with DLM.

df6b47b7babfb923aa363fd7fea809161bdaeff6 authored over 5 years ago by Erwan <[email protected]>

add lineshape_optimization as parameter of calc_spectrum, with default value 'DLM'

bfcb58d0830599bb8f012fa2e03ad4462f3ab371 authored over 5 years ago by Erwan <[email protected]>

(misc) fix bug when resetting index of dataframe, fix unchanged FWHM>HWHM

4b6b64b8f47ad3b7c69f7148c7050025eff76211 authored over 5 years ago by Erwan <[email protected]>

implemented a first version of DLM in nonequilibrium

added a test (DLM eq vs DLM noneq)

16d4b8fde5caa657a02b57c1fdea72e349cc6bc5 authored over 5 years ago by Erwan <[email protected]>

(misc) update warnings, reset index of dataframe before each run (saves trouble if database manually edited by the user).

55c8329dcdc382f34fa4d3bf7b1bd68280854d3d authored over 5 years ago by Erwan <[email protected]>

- implemetned map() version to fetch Evib and Erot in CO2

clean code:
- remove reference to pandas issue #2936 (now fixed)
- rmeove unecessary return of df...

3427f4073cda5fc25777d1e34220b717d74c4b83 authored over 5 years ago by Erwan <[email protected]>

only print HAPI version if verbose>=2

f0140074f94f3176ecc87a31e0717b01dd6ce10b authored over 5 years ago by Erwan <[email protected]>

back to non vectorized version of DLM Voigt calculation: easier to read, not a performance bottleneck anyway

3e41f360042a9c853d05355b3072da8e3bd74022 authored over 5 years ago by Erwan <[email protected]>

improve speed of w_axis calculation

vectorized version of Voigt lineshape calculation in DLM

6474cb7e7f15216cc5f171978d7fe18bd3a3ee32 authored over 5 years ago by Erwan <[email protected]>

voigt implementation in DLM. Not vectorized yet.

c5a1cda41afab7b2d41a82941d25af70c1c23174 authored over 5 years ago by Erwan <[email protected]>

implementation of DLM v2 (without loop over lines). 86s > 1s calculation time for 360k lines

f43b2216c1e749c91b556416d3a7fe3aacf0bb20 authored over 5 years ago by Erwan <[email protected]>

(misc) fix problem with chunksize

793eaa5d18381551f353d2ba41e6edaea2978ceb authored over 5 years ago by Erwan <[email protected]>

another improvement, using a dictionary rather than a 3D array to store the DLM

ee9783c88690e039d1cb7a3c07926bdb4f19556e authored over 5 years ago by Erwan <[email protected]>

optimize calculations even more. 10s > 1.6s on test case (RADIS without DLM: ~12s)

b6700ca2093438c0171a2d0f40b33a8e66e2f37b authored over 5 years ago by Erwan <[email protected]>

fix error (gauss/lorentz inverted in DLM previous commit)

improve calculation times (10>8s on test case)

b14314ab8e886d5fda8868276a592167c6eca814 authored over 5 years ago by Erwan <[email protected]>

Include first working version of a DLM in Radis, based on code snippet from @dcmvdbekerom (see discussion in Issue #37)

- no Whiting approximation for the Voigt, still numerical convolve
- many parts not vectorized
- ...

41cbc203b7155f1f41ab180bc70007bab59abbdf authored over 5 years ago by Erwan <[email protected]>

broadening: move all pandas reshape functions out of Lorentz & Gaussian lineshape functions, to their parent function. So that Lorentz & Gaussian can be called directly on numpy array too (required to implement DLM!)

calculations done previously with FWHM are now done with HWHM for consistency with HITRAN notati...

9fa0bb343d7d31ab271dcbdc95068fdc240653a9 authored over 5 years ago by Erwan <[email protected]>

(misc) clean code

9405408fb6b3a804581bd8ad1e03915043fbd4ec authored over 5 years ago by Erwan <[email protected]>

(misc) improve error msg if missing metadata in line database

33dc16d214da041df15726fc095f34d4352f4204 authored over 5 years ago by Erwan <[email protected]>

pseudo-continuum also calculated with the 2 nearest spectral points rather than 1.

smaller remaining difference in test thresholds > updated values to pass

f30168386b6c51856b2a9b781361f0f24a9b62d5 authored over 5 years ago by Erwan <[email protected]>

Initial work before implementing DLM:

- Show more performance output (verbose>=3 shows detail of each part of calc_lineshape and apply_...

5de0c68fdd36ae057139e8c6644d866fb5a31119 authored over 5 years ago by Erwan <[email protected]>

ability to remove all warnings by changing sf.warnings=False in SpectrumFactory

dd24029a847b4545514d5753664297d00358de37 authored over 5 years ago by Erwan <[email protected]>

(misc) improve ylabel when plotting normalized

tiny improvement in crop()

183b469e99b8da886dadd259fe2b16e46c2234d7 authored over 5 years ago by Erwan <[email protected]>

add exception in crop() to make it work when medium not given.

d42a68bbbe5cca3808d59d594c9c999882dcf0a9 authored over 5 years ago by Erwan <[email protected]>

docs:

- more details in architecture, reference private functions
- more details in SpecDatabase
- impr...

002ad00da229e9b5f5737876bfe2910815443907 authored over 5 years ago by Erwan <[email protected]>

(docs) update docstrings / error msgs

eba932dbf5e09bf0808dbbd7f8c4f3b6e6dc51a0 authored over 5 years ago by Erwan <[email protected]>

feature: make it possible to use a line database file (ex: .par) directly from calc_spectrum. Format is inferred (.par > HITRAN)

docs: verbose documented in calc_spectrum directly

36aec6c5b44f7af73bae8cd11be229ef29df286f authored over 5 years ago by Erwan <[email protected]>

(docs) remove unnecessary comment

b34eb9908b327f236e9ecc32d519038aff6c7de5 authored over 5 years ago by Erwan <[email protected]>

(docs) move all references in a dedicated file, reference SunPy

fix a link

43f93eb12ea7ed143a84095a333de0600ca36a8b authored over 5 years ago by Erwan <[email protected]>

Merge pull request #36 from radis/develop

0.9.19

38fffde923ac549a46447809ea0e4b20d415f708 authored over 5 years ago by Erwan Pannier <[email protected]>

(docs) reference scikit-spectra

44530b7b2211e5042bb7bea67cf614b9fef6ea62 authored over 5 years ago by Erwan <[email protected]>

(docs) reference other spectroscopic packages

706aec4fbaedfef8506ec22138ef0ce8270fb125 authored over 5 years ago by Erwan <[email protected]>