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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

minor doc improvement to README

5afc5ba910b894b3efd13a5ef590092f8379260e authored about 3 years ago by Erwan Pannier <[email protected]>
fix types

b9f0b17afd9c751df269c7d24f56eb0b193bd343 authored about 3 years ago by Erwan Pannier <[email protected]>
achieved almost no overhead by typing & caching

bdb5f6cec10ea361978e7b3075897af4dd013c18 authored about 3 years ago by Erwan Pannier <[email protected]>
review comments

5413b470567dd76498522c12084c7de5ddd4d489 authored about 3 years ago by Erwan Pannier <[email protected]>
fix boundary error

97878be11098c8249ace4990e0addbc6d1712b33 authored about 3 years ago by Erwan Pannier <[email protected]>
tried 2nd version, but twice as slow

ebb5e962546f1b231a34dba14e82ffb1170f0869 authored about 3 years ago by Erwan Pannier <[email protected]>
working POC for sparse waverange optimization

(still some boundary problems)

25defa2739f4d8ff2abf85a5ba3ea2f5dfa43963 authored about 3 years ago by Erwan Pannier <[email protected]>
Merge pull request #385 from anandxkumar/issue/381

Fixes: Issue/381

2af010441b014591d0eed22fd9ea6b9ef16d1baf authored about 3 years ago by Anand Kumar <[email protected]>
Updated Test parameters

44f5e623fa3d525512bb264c04c674245c6df560 authored about 3 years ago by anandxkumar <[email protected]>
Removed optional_wstep and using wstep as a list for solving multiple molecules issue

656010e8d9fe383914010c21a4a265f0f086d4af authored about 3 years ago by anandxkumar <[email protected]>
Added Test, Documentation, and modified code

510fa8076983e0570294370f633f72c70b2a85fa authored about 3 years ago by anandxkumar <[email protected]>
Added optional_wstep arguement for storing min value of wstep for multiple molecules and wstep='auto'

2e2121a88fb31928821b64d5ad5841b62011f7c4 authored about 3 years ago by anandxkumar <[email protected]>
Merge pull request #383 from erwanp/fix/line-survey-newformat

fix line survey tool with new radisdb-hitemp format

c3b29a2573d95808bbe7a38a18841f4595de5a53 authored about 3 years ago by Erwan Pannier <[email protected]>
Merge pull request #378 from erwanp/add/improved-hdf5-manager

Improved hdf5 manager : HDF5 write/load of Spectrum files & HITRAN files

1cb73e7f0824319c9cd94129cc7144a9d9902677 authored about 3 years ago by Erwan Pannier <[email protected]>
fix Pandas > Vaex conversion problem (metadata storage changed)

32421a4d2293394e3f82c000a31e2f2da35a1d46 authored about 3 years ago by Erwan Pannier <[email protected]>
update to line_survey for NIST support

improve default barwidths of Line survey, allow to use a column name (ex : 'hwhm_voigt')

f8ee7fdb060e121591d02fc61fa112363daaa67c authored about 3 years ago by Erwan Pannier <[email protected]>
refactor to allow for a Radis NIST extension

df62e2d00ed0cfaedf1f93c839c885823ec5b410 authored about 3 years ago by Erwan Pannier <[email protected]>
Improve SpecDatabase (bug correction and update)

eacb11adb6459c3f47786d75901e29ce88e59f1a authored about 3 years ago by CorentinGrimaldi <[email protected]>
fix line survey tool with new radisdb-hitemp format

6bab2aa6380c3ef76cb45e660700376cc2e50c93 authored about 3 years ago by Erwan Pannier <[email protected]>
Update wL/wG to NwL/NwG in lbl.factory

46e1d8e06c0064c90b358062331ebfa0781b89dd authored about 3 years ago by Dirk van den Bekerom <[email protected]>
trigger pre-commit hooks

cfb50868b485eee00c1f13565caae2a0e204d1fe authored about 3 years ago by Dirk van den Bekerom <[email protected]>
black

273be3828ac5f77ca7c1793205dae5e5c7e709e5 authored about 3 years ago by Dirk van den Bekerom <[email protected]>
Calculate Q inside gpu_iterate(); sliders working again

921a148754601fdee20eae1e411d1ab37ce9307e authored about 3 years ago by Dirk van den Bekerom <[email protected]>
Move back sliders after rulers

6952b899d768684e6436d69275bc5b3ef82b472b authored about 3 years ago by Dirk van den Bekerom <[email protected]>
Updated calc_S0() and self.wG/wL is now self.NwG/NwL

c9b770c99ab35b3a4f3322c426af75fe5890bb2b authored about 3 years ago by Dirk van den Bekerom <[email protected]>
fixed errors with pytables-fixed format (failed astroquery cache)

bba23fb9fd4fa6be17af99ee8ea4367a08fa2abe authored about 3 years ago by Erwan Pannier <[email protected]>
fix errors while building HDF5 files (pytables was not appending anymore)

8d5702745674d3fd30a0981ce17ad8998d025714 authored about 3 years ago by Erwan Pannier <[email protected]>
fix implementation of load/save Spectrum with HDF5 vaex-engine

4c4313a6fa6e1005a46c3e6fe235c87b0bac92f2 authored about 3 years ago by Erwan Pannier <[email protected]>
(wip) trying implementation of save/retrieve Spectrum with Vaex's HDF5 ; fails when getting/storing condtiinos

```
import radis
from radis import Spectrum

s = radis.test_spectrum(wstep=0.001) # export_lines...

764aa9988280d778bb96c2da88520bd38d6baa96 authored about 3 years ago by Erwan Pannier <[email protected]>
Spectrum object stored & read in HDF5 files

58367b9e7d6745a35fde688df072d19df6ea4615 authored about 3 years ago by Erwan Pannier <[email protected]>
Merge branch 'develop' into gpu_widget_new_branch

5d448b206356f7c0b3b45bc565cdca454cd566d5 authored about 3 years ago by Dirk van den Bekerom <[email protected]>
Fixed profiler timing issue in eq_spectrum_gpu()

d0510ef8affcd8c489ff7fbf9d904e9f7e01fb1f authored about 3 years ago by Dirk van den Bekerom <[email protected]>
write HITRAN cache files as vaex files

ad20be1721ed9541e161ab2f33859c183966b623 authored about 3 years ago by Erwan Pannier <[email protected]>
Merge pull request #375 from radis/develop

0.10.3

93ab2a5ee0255229440748b55aeb2c7fafbd95f8 authored over 3 years ago by Erwan Pannier <[email protected]>
0.10.3

c22ece0aa4c9f12ec56da177623ca2932bf4eaaa authored over 3 years ago by Erwan Pannier <[email protected]>
Merge pull request #374 from radis/quickFix_CN_Exomol

add ExoMol CN (hard coded isotopologue name and mass)

04bdbe43eb8cbec225f07d0a8b888e17674d19f5 authored over 3 years ago by Erwan Pannier <[email protected]>
linting

bdf34d44f34f82b75983b69ae06f5bf4b54eadb4 authored over 3 years ago by Erwan Pannier <[email protected]>
Merge pull request #373 from brendandrury/develop

Parallelized downloading and parsing of HITEMP files

62f3ea08531db0c9bc08db66d2e28ebb55f8d7d9 authored over 3 years ago by Erwan Pannier <[email protected]>
linting

8c00010c52ee05849592bcf1ffa631d4893fb776 authored over 3 years ago by Erwan Pannier <[email protected]>
add some verbose text when downloading&parsing in parallel

add parallel download option directly in SpectrumFactory.fetch_database(parallel=True)

e93cc2fc395f7eedd3363eae73ae14042c22bb14 authored over 3 years ago by Erwan Pannier <[email protected]>
Removed useless variable

33d34b42201b245f45d6955c227cfe8fdb807002 authored over 3 years ago by Brendan Drury <[email protected]>
Added parallel flag and re-enabled some progress printing

d7935e7dad1c8c14d13f0d396f8aa1896c64993b authored over 3 years ago by Brendan Drury <[email protected]>
Merge pull request #371 from CorentinGrimaldi/fix_slabs_merging_equilibrium

Fix MergeSlabs and SerialSlabs regarding equilibrium assumption

ace40203c3ff695e43dcdf08e1ac8d3883d2fea7 authored over 3 years ago by Erwan Pannier <[email protected]>
hard coded isotopologue name and mass of CN

491854fd6b9c3946486ff6c0e3d091353b9c538f authored over 3 years ago by minou <[email protected]>
Parallelized downloading and parsing of HITEMP files

bd5157cfb08e3fa3c54b7da3bd57e8cc2c4f8d38 authored over 3 years ago by Brendan Drury <[email protected]>
issue docstring update

166f528f76ac248075f63d5a5924923ff7fcbbe7 authored over 3 years ago by CorentinGrimaldi <[email protected]>
Black

800ce578a9843d32209db312bc065376ab13c6f8 authored over 3 years ago by CorentinGrimaldi <[email protected]>
Fix MergeSlabs and SerialSlabs regarding equilibrium assumption

c3c2703c79825e484ae76f022895395ee32cb2ca authored over 3 years ago by CorentinGrimaldi <[email protected]>
Corrected provided to get_baseline() function parameters according to the Spectrum.from_array() requirements (wunit parameter was missing)

99c04b864813b5015b3de6c30723c6929880f8a5 authored over 3 years ago by Maksim Blekhshtein <[email protected]>
Merge pull request #367 from CorentinGrimaldi/Fix_wav_bug

Fixes #366

eaafb23b4d092db65d87b9ee948c908db4663f04 authored over 3 years ago by CorentinGrimaldi <[email protected]>
Black linting, I hate this thing

58bab14fd943a0d63b0c28de0b8de55c92d2221b authored over 3 years ago by CorentinGrimaldi <[email protected]>
Fix bug, by adding empty space on each side of kij and suppress them after in the DLM

307f47bad8b9c72698f8f5a32f795e61afe9da38 authored over 3 years ago by CorentinGrimaldi <[email protected]>
Merge pull request #365 from erwanp/add/new-color-palette

Add/new color palette & update docs

8e9158d2be6e2347ce24c893278bc5f65511b692 authored over 3 years ago by CorentinGrimaldi <[email protected]>
Merge pull request #364 from erwanp/fix/plot_behavior

update plot behavior, not showing fig by default.

37d90b18109189555a90df132d4f9be9baeba5d3 authored over 3 years ago by Erwan Pannier <[email protected]>
Merge pull request #363 from anandxkumar/fix/351

Update info messages & docs - Fixes: #351

aa9ce292addcf3150e16d2bea061f176300f6098 authored over 3 years ago by Anand Kumar <[email protected]>
Updated Docs for Predict Time

81fb7ab31ee907b669646002cea10a37bc957872 authored over 3 years ago by anandxkumar <[email protected]>
Updated Docs for Predict Time

bf6ed89e7a127d519a622389a128ff504a7e6110 authored over 3 years ago by anandxkumar <[email protected]>
Removed Default from broadening_method

bf6519c5457d9eb22b17c03c5f44c743b41a7957 authored over 3 years ago by anandxkumar <[email protected]>
mention Fitroom

d13c43c2c072660f7455873a78d6c84d56b3e3dc authored over 3 years ago by Erwan Pannier <[email protected]>
missing file

dc5251074bc374b75b7d4a5c2bf60fcb3bf53123 authored over 3 years ago by Erwan Pannier <[email protected]>
raise DeprecatedWarning if missing metadata in energy levels

update docstrings & links

3a2176f3d9e378a839ba8cd55b3316b27b85ce94 authored over 3 years ago by Erwan Pannier <[email protected]>
update logo & color palette

31908f9c1f69bfd0548507accb3ba56e4da9f048 authored over 3 years ago by Erwan Pannier <[email protected]>
generate doc files in /source instead of /gen_modules (fixes Google links)

a32ced4aeb82b415e789e34dc0dbd766451ff9db authored over 3 years ago by Erwan Pannier <[email protected]>
update plot behavior, not showing fig by default. Fixes #362

9202ef07662b32c6fbdc1a9e986ffe30aeaff975 authored over 3 years ago by Erwan Pannier <[email protected]>
Shifted predict_time() in broaden_lines and broaden_lines_non_eq

f68c5311185fce69b4743fedacbb98ea2a457740 authored over 3 years ago by anandxkumar <[email protected]>
add: __repr__ in Default class

694a88950d89120c7ac9b251dc2cac3698f2d427 authored over 3 years ago by anandxkumar <[email protected]>
Merge pull request #361 from radis/develop

0.10.2

080b46f8cb84f0917a588cd12eca0d63231b1830 authored over 3 years ago by Erwan Pannier <[email protected]>
0.10.2

cfb470528d9655f78833ba0f0e29c630e050bcef authored over 3 years ago by Erwan Pannier <[email protected]>
Merge pull request #359 from erwanp/fix/index-error

Fix/index error

f91fa4b0d25825ffac3d2a0c88e8f521dd2bb795 authored over 3 years ago by Erwan Pannier <[email protected]>
Merge branch 'radis:develop' into fix/index-error

97843fb74c49561caa06cec7243e3f77af055a07 authored over 3 years ago by Erwan Pannier <[email protected]>
fixes #358

1f62b7579c26cbd0bf07978388eea63443be7a1e authored over 3 years ago by Erwan Pannier <[email protected]>
Merge pull request #357 from radis/add-wheel-on-deploy

add wheel distributions

6f40d8e9318163678baf429901ccbbfe2b85a6d9 authored over 3 years ago by Erwan Pannier <[email protected]>
added wheel distributions

Co-authored-by: @suzil

45ecd385eb96ebddd07ce8cedb87c4f041f6b2de authored over 3 years ago by Erwan Pannier <[email protected]>
Merge pull request #354 from radis/develop

0.10.1

2e0779f67424bc8b695ccccdbd3007c8584a0a37 authored over 3 years ago by Erwan Pannier <[email protected]>
Merge remote-tracking branch 'upstream/develop' into develop-upstream

11fbf88d8866d0b56e93c56a442208ae87150d68 authored over 3 years ago by Erwan Pannier <[email protected]>
hotfix

e39146f6ab767e9bb7176955cf2981e8155c04db authored over 3 years ago by Erwan Pannier <[email protected]>
Merge pull request #353 from radis/develop

0.10.1

620895ddd2540b3a0a723f09fbdd61359f711f63 authored over 3 years ago by Erwan Pannier <[email protected]>
Merge branch 'master' into develop

c2121118a8d1ff2f962c7ccfe8793d2b7c6b6b8a authored over 3 years ago by Erwan Pannier <[email protected]>
fix default_radis.json name in MANIFEST

add radis_cython_extensions.pyx in MANIFEST (normally not needed if compilation worked; .so file ...

e71aff17470783c08392c502d277a97af7817e67 authored over 3 years ago by Erwan Pannier <[email protected]>
Merge pull request #273 from radis/develop

0.9.30

a49c5cd265527f94a0867aa244c6c5d7b34be0d8 authored over 3 years ago by Erwan Pannier <[email protected]>
Merge remote-tracking branch 'upstream/develop' into develop-upstream

bafc1f9e108ad14c3d7ac27d6a05af2185032d41 authored over 3 years ago by Erwan Pannier <[email protected]>
ready for 0.9.30

c1c3ec7b4b239acff257a5c5649f48a7988f2ea8 authored over 3 years ago by Erwan Pannier <[email protected]>
Merge pull request #306 from erwanp/add/vaex-for-hitemp

Add/vaex-hdf5 reader for hitemp

bbd27b590c0c565f034bd9250f9aa9aee7de5bba authored over 3 years ago by Erwan Pannier <[email protected]>
fix missing engine= argument

0eda5513559fcfe6fabe99f7e725808a6ce5cca8 authored over 3 years ago by Erwan Pannier <[email protected]>
fix missing engine= argument

5156c8c56612468b4152c7def3502d6ab6b7724b authored over 3 years ago by Erwan Pannier <[email protected]>
linting

34cf1966a50157a083a83f20ad2b0fcf096b5957 authored over 3 years ago by Erwan Pannier <[email protected]>
implemented add_metadata ; load ; read_metadata for h5py engine in HDF5Manager. Fix #239

add io tests for all HDF5 engines

5b1ecb5efe618d6b155871f8333701b3ede8eb21 authored over 3 years ago by Erwan Pannier <[email protected]>
fix typo in 'engine' name

more consistent use of HDF5Manager

67a0a5cbe5052cf19fbe8c2ffb88d58437085869 authored over 3 years ago by Erwan Pannier <[email protected]>
move new /hitemp files to .radisdb/hitemp/

(does not change anything if you already have a database registered on your computer. The radis.j...

8621dbff2792ffba9544db63884de1d4efbed915 authored over 3 years ago by Erwan Pannier <[email protected]>
fix tests

19379e4518bd7fc04a2f20fc5e757f03b6ce3785 authored over 3 years ago by Erwan Pannier <[email protected]>
easier error message if problem with downloaded file

8b648e9d580b8d1b0328f05edd04caad825d464d authored over 3 years ago by Erwan Pannier <[email protected]>
more consistent use of HDF5Manager through the code

fix some missing 'engine' parameter input
auto-generate vaex .hdf5 for the OH Test

788ec7c2119eaabf76b44bbc36dfae2844e55d99 authored over 3 years ago by Erwan Pannier <[email protected]>
fix tests

60cfa927093317f40979d7d08e373890a54656f2 authored over 3 years ago by Erwan Pannier <[email protected]>
implemented vaex-file read support

add auto-convert of pytables to vaex format
add hdf5_engine option directly from SpectrumFactory....

ab1977e43c4b8639d28a6b016f6deb26261d2135 authored over 3 years ago by Erwan Pannier <[email protected]>
implemented different engines in HDF5 cache files & generation : vaex and h5py

added vaex filtering when loading database with wmin, wmax, or isotpes

# Conflicts:
# environmen...

9c2add42c89b97b0de78a9604ca6f38fbbd00756 authored over 3 years ago by Erwan Pannier <[email protected]>
Merge pull request #343 from anandxkumar/benchmark

Add predict_time(), make broadening_method = "voigt" as default , add default truncation of 50 ...

710cd38f8349fde2db394f4c82e8d78886a1f6e5 authored over 3 years ago by Anand Kumar <[email protected]>
Set Default truncation to 50cm-1

00720e0139614095d7b13b40173d939791c6aa1f authored over 3 years ago by anandxkumar <[email protected]>
Merge branch 'benchmark' of https://github.com/anandxkumar/radis into benchmark

cde09afd3d4a8d43d3174b0fd43edc67b216d568 authored over 3 years ago by anandxkumar <[email protected]>
fix tests

de1f5e555a7d0c7d74d5fe473a064ce19d0c8747 authored over 3 years ago by Erwan Pannier <[email protected]>
backward compatibility : we raise an error if `broadening_max_width`, but give a suggestion on what to replace it with

36fd6447b72b0f8200d42b2945c173ab956a14d6 authored over 3 years ago by Erwan Pannier <[email protected]>