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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

rename links in docs / docstrings

2224260f7afd649cc92ba7659b4de3ffb04d1973 authored over 2 years ago by Erwan Pannier <[email protected]>
moving io.tools in api.tools

enforcing no ImportError unless ran from the same file (script mode)

e969c1570e33d3d58bd471b6fed6bb62d513e714 authored over 2 years ago by Erwan Pannier <[email protected]>
move common geisa parts in api

bafcbe17740aae71a0d38f37df32d0f631afbc6b authored over 2 years ago by Erwan Pannier <[email protected]>
moved shared exomol files in API, fix tests

3e45d7050adb4597ed4ff9d2f403d3801f00ed65 authored over 2 years ago by Erwan Pannier <[email protected]>
combined all exomol files

7a143aac0863e690ff4d607a3be6560c4e010589 authored over 2 years ago by Erwan Pannier <[email protected]>
moving Hitran / Hitemp / CDSD common parts to API

ef8cb92924ab7219d37397932e1288a41a382589 authored over 2 years ago by Erwan Pannier <[email protected]>
moving common exojax/radis functions to radis/api

33606a6e797affe294ee1f2f9cb9286e592fbdfc authored over 2 years ago by Erwan Pannier <[email protected]>
linting

4c0cc160e350ae512a13e0de9b7ba71206c5d124 authored over 2 years ago by Erwan Pannier <[email protected]>
Merge pull request #527 from mdrodelo/develop

Removing completed TODO in radis/lbl/calc.py

6774bd46a64329486f79ce9a966313285611722c authored over 2 years ago by Erwan Pannier <[email protected]>
Reverting changes. Removing completed TODO

4d5b8a96150763849c6a1671229be8c0160e187e authored over 2 years ago by michaeldaviducf <[email protected]>
Edit to keep consistent coding style

d02d147b881ef7aa3bd38f7b3fdc5e5784f578f0 authored over 2 years ago by michaeldaviducf <[email protected]>
Added KeyError and message for missing molecule

4f6e5657b601d019d8c9d2d7bd60ce508652b74b authored over 2 years ago by michaeldaviducf <[email protected]>
Merge pull request #526 from TranHuuNhatHuy/astropycrop

b59b6e08deee3f2acab15122033f3478cb9afa96 authored over 2 years ago by Tran Huu Nhat Huy <[email protected]>
added new Exomol molecule

20b4ca6e08fcbd527f88d39119a64b3304cedf77 authored over 2 years ago by Tran Huu Nhat Huy <[email protected]>
additional test cases for crop()

2e94ab8997119dd58046dc21165e38f0099bf71e authored over 2 years ago by Tran Huu Nhat Huy <[email protected]>
allow astropy units to be used in crop()

b517f8ae511574c035db77bb8c669f7e249de394 authored over 2 years ago by Tran Huu Nhat Huy <[email protected]>
Cleaning of code

27588213603531a7c0daa6e962d61d86c1e0f13f authored over 2 years ago by Supriya1702 <[email protected]>
remove all wstep, except in comparison

ed0e713c027db68df3786622b4db67defcd573de authored over 2 years ago by Tran Huu Nhat Huy <[email protected]>
Fixed non air diluent pressue broadening error

c6823a3b94117b08a1ba544f022f98c9e2cc86a5 authored over 2 years ago by Supriya1702 <[email protected]>
Merge branch 'develop' of https://github.com/radis/radis into non_air_diluent_2

0ee1edaeab782b3719d5b5d9ffab7c770f41e8ec authored over 2 years ago by Supriya1702 <[email protected]>
hotfix for loading extra params when exporting line

aa5e21024f2bb4009cb5290ec7f04e3e5c44a8fe authored over 2 years ago by Supriya1702 <[email protected]>
Updated tests and mentioned PR in test.rst

bd1cf80534274e4913f4bed7aa3ba2f846d036f7 authored over 2 years ago by Supriya1702 <[email protected]>
Fixed test_factory.py test and added NontImplementation Error for muliple molecules

a3c11e575ac94ba4c8a3e27e34b3833e3c10ac32 authored over 2 years ago by Supriya1702 <[email protected]>
additional example fixes

16adefe3bb7e5361aa1e7059ddad378d89bcec08 authored over 2 years ago by Tran Huu Nhat Huy <[email protected]>
Added tests in test_calc.py and test_factory.py

5bc1c805503d899954603d9a3b500f1ac472703d authored over 2 years ago by Supriya1702 <[email protected]>
Merge pull request #524 from erwanp/2209/fix_521

add explicit warning/error message if line with 0-cm-1 broadening

8e926b8dac2b9ac789ce2e56f77d45db5db40472 authored over 2 years ago by Erwan Pannier <[email protected]>
Merge branch 'newfitting' of https://github.com/TranHuuNhatHuy/radis into newfitting

77619995fe151a617ee5215c6d7a6cc41a5a3dcd authored over 2 years ago by Tran Huu Nhat Huy <[email protected]>
add a plethora of docstring func, minigallery,

09788327e5ddfa791f854fb0610be1e71fcd9717 authored over 2 years ago by Tran Huu Nhat Huy <[email protected]>
playing around, managed to get uncertainties by using "least-square" and appropriate "gtol" parameter

[[Variables]]
Tgas: 1000.54631 +/- 18.6202112 (1.86%) (init = 700)

14c919c068054f91cb6219f22889dd1be8e2dbeb authored over 2 years ago by Erwan Pannier <[email protected]>
add explicit warning/error message if line with 0-cm-1 broadening

Fixes #521

151129756e32e95176380458577c49fd008143bb authored over 2 years ago by Erwan Pannier <[email protected]>
trim long text, add docstring functions and links

01cff76bb9552423312295ced364e7dbb07ed6da authored over 2 years ago by Tran Huu Nhat Huy <[email protected]>
Fixes test_gpu.py

ce39a0718464e306ad227b858d431bc9266ae71a authored over 2 years ago by Supriya1702 <[email protected]>
Set diluent default as 'air', now a single string diluent is allowed, if mulitple then dictionary

b52c3ec62e833a11cca8fc50d2817ed92feab9e9 authored over 2 years ago by Supriya1702 <[email protected]>
add benchmarking example - method comparison

ae4b2d6bbebec2cf8d5c59a633d21769d9a8ee3e authored over 2 years ago by Tran Huu Nhat Huy <[email protected]>
allow plotting to be completely shut down

1194c53f3a831af8e49ef99f4f85a5cc820abc32 authored over 2 years ago by Tran Huu Nhat Huy <[email protected]>
Adding _generate_diluent_molefraction in eq_spectru_gpu

15071f8d2dc985873445181c6c09c1167a030af8 authored over 2 years ago by Supriya1702 <[email protected]>
Added MoleFractionError class

31fcbfc91b1e03d544145997dbfcafb180cb9d79 authored over 2 years ago by Supriya1702 <[email protected]>
Updated calc.py and broadening.py file

ad9cd263f2b8f0082c0d0289d2c68236da0ba2d5 authored over 2 years ago by Supriya1702 <[email protected]>
Set diluent=None as default which equals to 1- molefraction, raising error if molefracton sum of molecule and diluent isn't 1

a474687791858531e9af39ed205d14453559da35 authored over 2 years ago by Supriya1702 <[email protected]>
add example: comparison of old/new fitting

c3dce8e2fedb8fd346620e028aa7680462173045 authored over 2 years ago by Tran Huu Nhat Huy <[email protected]>
add Mr. Minou's case with a trimmed MAT file

9e85b3bc1827e7e45c1428f79b64e1f7d8ce4e3e authored over 2 years ago by Tran Huu Nhat Huy <[email protected]>
Merge pull request #520 from TranHuuNhatHuy/newfitting

Implement all new fitting modules and accompanied gallery examples into RADIS

c27a6eb9a4fa8c17d8cf4e7f498d53e2323d83ba authored over 2 years ago by Tran Huu Nhat Huy <[email protected]>
re-push all commits in old PR to this new PR

9541fb6006d764bbe4c01585f59642aa55ef3219 authored over 2 years ago by Tran Huu Nhat Huy <[email protected]>
Merge pull request #518 from TranHuuNhatHuy/develop

Add some small docs/examples

3465180a2483f7529721917be0372ed8ad1b5651 authored over 2 years ago by Erwan Pannier <[email protected]>
add some tiny doc/example

40611aa22280485f9976ebcf2dc075ee82e26348 authored over 2 years ago by Tran Huu Nhat Huy <[email protected]>
Merge pull request #514 from dcmvdbekerom/fix_GPU

Fix an indexing error in experimental-GPU implementation.
Improve how spectrum arrays are resc...

23b253334c55c01052493ea911390c263bfb8690 authored over 2 years ago by Erwan Pannier <[email protected]>
fix rescale problem introduced in previous commit

fix get() problem (not noticed by the test suite)

deef09c9b502695a8e18e613feb1d84410125891 authored over 2 years ago by Erwan Pannier <[email protected]>
update Spectrum update-method to recompute arrays required to rescale a convoluted quantity at equilibrium, now that we only recompute quantities that are needed

use apply_slit() in GPU iterate() (on the CPU side)
update gpu widget example

e130b021fbddaf044e26e48f0ec9add912e66d98 authored over 2 years ago by Erwan Pannier <[email protected]>
update GPU iteration update and example

@dcmvdbekerom conditions of the Spectrum are not updated during GPU iteration, therefore Spectrum...

842eec0a4346d0e295bff1b46ea42ee64d2c079c authored over 2 years ago by Erwan Pannier <[email protected]>
Merge remote-tracking branch 'dirk/fix_GPU' into pr/fix_GPU

# Conflicts:
# examples/plot_gpu_widgets.py

2681241e38a8c0f7f60a408d23a5d3e88664d8ca authored over 2 years ago by Erwan Pannier <[email protected]>
(perf) avoid recomputing uncessary quantities when rescaling at equilibrium

added new test for recomputing spectral arrays from one-another
fix links in docs

39e3dc83df10a8dfe4a363b6117f93baae17772a authored over 2 years ago by Erwan Pannier <[email protected]>
Update on Radiance (WIP)

- Quite slow
- No convolved parameters

6624891442086d62bb18dcd58faaaf62ebbc7dad authored over 2 years ago by Dirk van den Bekerom <[email protected]>
Merge latest pushes

a041ffa63ab75feb182a777287db44af25e59e38 authored over 2 years ago by Dirk van den Bekerom <[email protected]>
Calculate vars in spectrum object (wip)

d855edb7a53d475820744eeeee8a1255f7078bad authored over 2 years ago by Dirk van den Bekerom <[email protected]>
Create code_profiler.py

This code profiler traces all functions that are called and stores the output in a text file. Ve...

a8627c3a081a68456e4556028a842fa830a8705f authored over 2 years ago by Dirk van den Bekerom <[email protected]>
attempt to fix Readthedocs failure

e0778bff5e8fb9d4d63d73720eea3ed6374d4cf2 authored over 2 years ago by Erwan Pannier <[email protected]>
Add gu/gp when not present

b528353f4d511da79adeeeb7e71ee58148a2d74d authored over 2 years ago by Dirk van den Bekerom <[email protected]>
update GPU test, ensure residuals are visually small and use get_residual to hardcode them

(plot : https://github.com/radis/radis/pull/514#issuecomment-1229498958)
update docs & links in G...

f6b12baf9c43941765eba03f76e4945a34c0b9e2 authored over 2 years ago by Erwan Pannier <[email protected]>
Add GPU test (see comment)

Currently fails because the spectra don't quite match

f4744d370beb8101aabc34e859850b74f0f546f2 authored over 2 years ago by Dirk van den Bekerom <[email protected]>
Update profiler.py

perf_counter() is prefererred for timing code

54cbdf4c270d7cabf0f8220ce423295fcf3ac8d5 authored over 2 years ago by Dirk van den Bekerom <[email protected]>
Split GPU test in emulated and GPU test

The non-emulated GPU test is not selected normally

0b81569e04adb5f84ff02383c5fe38f0def1cbc5 authored over 2 years ago by Dirk van den Bekerom <[email protected]>
Fix GPU bug when loading single isotope

bb802e6f59bae0da5bb7064ef170017b5d3e6174 authored over 2 years ago by Dirk van den Bekerom <[email protected]>
Update test_gpu.py

5cbcd0cc5cbc7c594da51801413a7441719da81f authored over 2 years ago by Dirk van den Bekerom <[email protected]>
update gpu.cpp - fix indexing bug

ddb45d2dabaad3aac9312f41dd92e8013231790a authored over 2 years ago by Dirk van den Bekerom <[email protected]>
Merge remote-tracking branch 'upstream/develop' into develop-upstream

f3b0d4f41b06c595edacdef2a0c27bf69c2ff298 authored over 2 years ago by Erwan Pannier <[email protected]>
hotfix - fix gpu following #516

764e277384675908d5a05cb6bf5c8d50de2b712c authored over 2 years ago by Erwan Pannier <[email protected]>
Merge pull request #516 from erwanp/2208/refactor-extra-molparams

Refactor extra molecular parameters , improve docs (mention video support)

992f92c7843f5b2d2efbd6fe9e31fc86ac725f35 authored over 2 years ago by Erwan Pannier <[email protected]>
[skip-ci] mention video tutorials

63ded5035bb017d51de68881b080f3405fee9e26 authored over 2 years ago by Erwan Pannier <[email protected]>
Add GPU test (see comment)

Currently fails because the spectra don't quite match

faec7356f48aabb696a0e5ca50fea641fee3efcb authored over 2 years ago by Dirk van den Bekerom <[email protected]>
Add gu/gp when not present

888ee190a28b180863df4ba5f1953d7bc1ef30eb authored over 2 years ago by Dirk van den Bekerom <[email protected]>
(perf) warn if "gp" and "gu" columns both exist, raise error if values differ

https://github.com/radis/radis/pull/514#issuecomment-1229463074

4a8b70d534e9c8de1a66e5634b743ce84935ff62 authored over 2 years ago by Erwan Pannier <[email protected]>
(simplify) drop generate_perf_profile support, and remove Tuna from requirements

3796f6a62407646bb9b62477d62c95d1d33343f5 authored over 2 years ago by Erwan Pannier <[email protected]>
Fix GPU bug when loading single isotope

a7076735d8617ae3e75902ede22dfe1cbf559040 authored over 2 years ago by Dirk van den Bekerom <[email protected]>
prepare 0.13.1

a26f01d6e7cfb324ffd98af8f71249d1d0df45e3 authored over 2 years ago by Erwan Pannier <[email protected]>
refactor extra molparams

remove them from radis.config ; add dedicated molparams_extra.json file

dbff8217fcf3b286f886dda454cab150b2c548db authored over 2 years ago by Erwan Pannier <[email protected]>
Update test_gpu.py

962c523f3217b6903f8313ad6eae1d0e33185ccf authored over 2 years ago by Dirk van den Bekerom <[email protected]>
Split GPU test in emulated and GPU test

The non-emulated GPU test is not selected normally

2aad28acc5a2f823f9053b8a9a6d95b634a3074a authored over 2 years ago by Dirk van den Bekerom <[email protected]>
removed df and added diluent_broadening_coeff in broadening calculations

374df160582ad6bcea4de5f026894e75829fd6b3 authored over 2 years ago by Supriya1702 <[email protected]>
update gpu.cpp - fix indexing bug

710e32e5918e5530d41f93543cf4d49d79d9a9f6 authored over 2 years ago by Dirk van den Bekerom <[email protected]>
Update profiler.py

perf_counter() is prefererred for timing code

456d669e3fd3b17892f4a589f62a7069c967f831 authored over 2 years ago by Dirk van den Bekerom <[email protected]>
Added calc.py changes, added diluent_other_than_air globally in calc_spectrum

a0480a153f0f334a85172ac85629404d335918df authored over 2 years ago by Supriya1702 <[email protected]>
Added _generate_diluent_molefraction() function to compute diluents according to molefraction

a59b35377e977958b0ba148d910f8910e1ca0c18 authored over 2 years ago by Supriya1702 <[email protected]>
Added broadening coefficient list

658b76e825aac1efd0012258b2532729bd96e9c6 authored over 2 years ago by Supriya1702 <[email protected]>
(misc) update-docs following #512

a52e6936e30bf054fa80c6439b13b947b9b78df8 authored over 2 years ago by Erwan Pannier <[email protected]>
Merge pull request #512 from radis/warning2get_population

Added warning and help improvement for get_population, update line survey, add example

c3d9d1391517c255d47781d6ac57c67c11ecf946 authored over 2 years ago by Nicolas Minesi <[email protected]>
update warning

e1b8a3779d33948f913f93b57f69e58f9c8edc77 authored over 2 years ago by Erwan Pannier <[email protected]>
add plot_population gallery example

linting
fix line_survey for CO

3eec1af7bd22eb51b0d6da9ce007bc59c39a23b7 authored over 2 years ago by Erwan Pannier <[email protected]>
improve line_survey rendering, in particular for CO2 :

superscript for "l2" number ; upper/lower parameters appear in 2 columns

74f944d944da8d60d846a529a2419af11575e8ed authored over 2 years ago by Erwan Pannier <[email protected]>
applied 'black'

746551dfdcb11728b459cfdf537364cd9f0d359a authored over 2 years ago by minou <[email protected]>
added warning and example using example from @erwanp

25d19ccff7319c63a934bd49c9da2f63244a9975 authored over 2 years ago by minou <[email protected]>
Merge branch 'develop' of https://github.com/radis/radis into non_air_diluent_2

4692bc5d62238d32867d5d142525ab77958d853c authored over 2 years ago by Supriya1702 <[email protected]>
Merge pull request #505 from Supriya1702/fetch_hitran_update

Fetch hitran update

e85cb96b6984c0f60e9362df63c15b81221489a2 authored over 2 years ago by Supriya <[email protected]>
updated call to get_columns from dbmanager to manager

7b34d62d72bf2c83463052da024c4147e41aa2aa authored over 2 years ago by Supriya1702 <[email protected]>
Added molecule parameter to post_process_hitran_data and wrapped get_columns DataFileManager function in DataBaseManager

fca008e00481b187f783f456d13e3725f1a27412 authored over 2 years ago by Supriya1702 <[email protected]>
Modularized code by creating new function post_process_hitran_data for parsing non-equilibrium parameters

669a1d32dc43a3c31c4a571a8ac6637b97d4cbcf authored over 2 years ago by Supriya1702 <[email protected]>
Added test for get_columns in test_hdf5.py and some minor changes

93a6fcbbd523e83acc92a51bf94ab6c0f383d15a authored over 2 years ago by Supriya1702 <[email protected]>
Removed data file from hit2df_hapi and added docstrings

634a77c0da26b8d8b97741d38cbdffed5de4d649 authored over 2 years ago by Supriya1702 <[email protected]>
Added new function hit2df_hapi that wraps LOCAL_TABLE_CACHE and noneq parsing

2ff82b1c81bc2dd5d9486f9de605ad6016ede640 authored over 2 years ago by Supriya1702 <[email protected]>
Merge pull request #500 from sagarchotalia/develop

Fixing the case when the chunksize is too small

052eec6e23a6a57ef2b9107125873686e1a6dbc6 authored over 2 years ago by Sagar Chotalia <[email protected]>
added ldb.get_columns

6ef80ab5d5ef6683cc79afc8a95396d8bc827381 authored over 2 years ago by Supriya1702 <[email protected]>