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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

fix

11129760faa6b00c509f5ecb6b6df1878525a2d5 authored about 6 years ago by Erwan <[email protected]>
fix import order

fix codecov ignore

e6fca969cf53e9bb35669d91a4278dc7ffd201b8 authored about 6 years ago by Erwan <[email protected]>
updated docs, added reference to spectroscopic constants

a7e4f9e13df5474a3db093ff5346b71abefcae80 authored about 6 years ago by Erwan <[email protected]>
ignored hapi.py from Codecoverage, added a new test to test init_database

0ee78a96a184ebf1475c7c2704c5da4e4ad36cfa authored about 6 years ago by Erwan <[email protected]>
fixed Python2.7 syntax

541435c5daa113f704d637ac69b82001e37a3f75 authored about 6 years ago by Erwan Linux <[email protected]>
fix path look up for klarenaar test file

fix some unicode warnings

de783837af5edb4b0268ba1ad8dd4f04500c2a50 authored about 6 years ago by Erwan <[email protected]>
fix tag to ignore CDSD-HITEMP databases

0a42de53b2bbac127433b21e59db7688331d6454 authored about 6 years ago by Erwan <[email protected]>
update docs

increase verbose threshold of some warnings

541fdca769a667c0c72ce269773f21650c1895e0 authored about 6 years ago by Erwan <[email protected]>
reverted some tests to previous CDSD-HITEMP database (in particular: recombination of vibrational band is not implemented for HITRAN convention)

c228a8ac9b969a159aa9c3019ebfdf37e9998d16 authored about 6 years ago by Erwan <[email protected]>
Update tests:

- changed most of the tests using the HITEMP-2010 CO2 database to HITRAN. Less valid for high tem...

fcdf0d68bffbad4f938727022f021c8ec7ad343f authored about 6 years ago by Erwan <[email protected]>
(docs) switched back to figure

2208276a7e831af9375f9fa43028cb050d7485af authored about 6 years ago by Erwan <[email protected]>
(docs) RTD does not embed imagemagick which is needed for automatic svg > pdf conversion (https://github.com/rtfd/readthedocs.org/issues/3979). Added path to svg image as alternative link instead

870f995e2bec55b6baf54a10e204948df9a02200 authored about 6 years ago by Erwan <[email protected]>
try to fix image scaling in pdf Documentation

a6f04e6b562b08e630bf1ae4b3e1068f346fa773 authored about 6 years ago by Erwan <[email protected]>
add CH4 full spectrum benchmark case

03eec4b8d484f9561efaefcf2bac11a32a30ed4f authored about 6 years ago by Erwan <[email protected]>
fix line_survey CO2 example showing up in doc

27b76e7b1fc5f567c2526c88157e29a0301d4fed authored about 6 years ago by Erwan <[email protected]>
add svg example, add image

fdc60444fe2dc31352c16553ff7dfb71238acffd authored about 6 years ago by Erwan <[email protected]>
fix non working links with direct ones

c385331d1ff421b0e397faaac234fad55e452e26 authored about 6 years ago by Erwan <[email protected]>
fix links in docs

46496e7064d0f94fa6e6e4bce04d92fe5123f8b0 authored about 6 years ago by Erwan <[email protected]>
switched version back to 0.9.9 for 'pip' deployment tests

0f364f6c8188ecbb29259aa1d4316af3d0fb6972 authored about 6 years ago by Erwan <[email protected]>
reduced some warnings (made them verbose=2 level)

big improvement to the docs, added flow chart etc. and details on the ~/.config file

54242b1a0fb0245bd7e09a7797680659c88809b1 authored about 6 years ago by Erwan <[email protected]>
update docs

0ca8b3b6c75f738eb67694b4a03fb94791a75186 authored about 6 years ago by Erwan <[email protected]>
update docs

8f0bdbdc0980b08c892f4c2161395806114f9349 authored about 6 years ago by Erwan <[email protected]>
update docs

6473c4b5f72f5eab836a1b43ab09595e8a889baf authored about 6 years ago by Erwan <[email protected]>
fix a problem with parallel code: force expansion of line dataframe metadata before pickling, in the optmized case of 1 molecule, 1 isotope

878ee015d57e802212afa85973cbd8335e579314 authored about 6 years ago by Erwan <[email protected]>
fix travis syntax

75282ed5855553f72d474f2d49b47e874141976c authored about 6 years ago by Erwan <[email protected]>
fix python2.7 problem when comparing lines dataframes

638af0360e173d3de772acf235af8234ea11859b authored about 6 years ago by Erwan Linux <[email protected]>
ignore python3 only tests for Travis Python2.7, and vice versa

40f2f080ce7b50e7e53a9be959dd5ddc9d2bc2a4 authored about 6 years ago by Erwan Linux <[email protected]>
fix python2.7 syntax. Declared Parallel implementation as Python 3 only

f79695e79c2763727e2b7945c0f58c8c54a926e2 authored about 6 years ago by Erwan Linux <[email protected]>
moved test_partfunc in levels

a0e8d69e4c81b3475d461dedb1aa5786dafd643d authored about 6 years ago by Erwan Linux <[email protected]>
force setup of test line databases

82ee3a9897cf78e713f5a4c87fa09f28fdf4bd4d authored about 6 years ago by Erwan <[email protected]>
try to fix configparser, again

7c13b42242d4e58b0be91f439f2f1753b395ded1 authored about 6 years ago by Erwan <[email protected]>
cross compatible ConfigParser

started updated docs

f9544cc38ec556447e4250e3a73ca1676e066a75 authored about 6 years ago by Erwan <[email protected]>
fixed py27 syntax for configparser

0581f284d0bf21f73f116cc15154a9fa6310a122 authored about 6 years ago by Erwan Linux <[email protected]>
python 2.7 compat

517e58c05bbdaccb1f4d64054315f5efcc9636bf authored about 6 years ago by Erwan Linux <[email protected]>
fixed conversion safe checks for arrays

04037e311f85229076120c4f0bbc3bb7cd4d9a8f authored about 6 years ago by Erwan Linux <[email protected]>
updated unit safety check

b56aea20430e55398df906542a3692e63656c6e7 authored about 6 years ago by Erwan Linux <[email protected]>
include *.json files in MANIFEST, for docs generation

b553b37b63f6b120fc0f36c81d91548d5531461c authored about 6 years ago by Erwan <[email protected]>
fixed Python 2 syntax

6a19231a6b9f51276b1fdbc31d38d5f64757fec4 authored about 6 years ago by Erwan <[email protected]>
refactor: moved CDSD related partition function calculation in partfunc_cdsd.py

4b321de1c9772f4fe55c8ebfafccf6edde4eae83 authored about 6 years ago by Erwan <[email protected]>
renamed offset -> remove_ZPE (more straightforward)

b4342c83f88f83e06747c0bb73ac7d5b70648fb7 authored about 6 years ago by Erwan <[email protected]>
Fully replaced Hardcoded CO2 energies calculation (ElecState.Erovib was overwritten by a Python function with hardcoded spectroscopic coefficients) by a default assignation to a vibrating rotor energie model that looks up the default JSON database.

*Same output, just a step toward an easier, no code, pure-JSON implementation of new molecules*

...

3744526ae77ca42edb133fb2bd8781c0b1ecc00e authored about 6 years ago by Erwan <[email protected]>
removed 2nd isotope from 3 Tvib vs 1 Tvib test, as it's not defined on this spectral range anyway

f459044cc9074880bea9f8ab4082477dbd32d3e2 authored about 6 years ago by Erwan <[email protected]>
fix integer format in line_survey

3190bc87aa31a17e691068b369fcb566b658ad2e authored about 6 years ago by Erwan <[email protected]>
renamed

4b4d020f07e4a155226031a1d41490ad468badc9 authored about 6 years ago by Erwan <[email protected]>
clean code

353f1a82178af2a786872f04198387ed8f10b552 authored about 6 years ago by Erwan <[email protected]>
fix python 2 syntax

*still one test failing in Py3 with parallel*

5c48367f927f292ef9b54070848212aee4cba263 authored about 6 years ago by Erwan <[email protected]>
fix some tests

364ca7a39c19fb624b17928753b46f1bd293ac22 authored about 6 years ago by Erwan <[email protected]>
removed gas_inp (specair specific class) from specair validation cases

7cd3007244003ee61b7b0cc1a681d06c43bd75f2 authored about 6 years ago by Erwan <[email protected]>
fix tests, now properly ignore CDSD dependant tests

7e41d9b90455f4b0c8a0136e6784002678fce34c authored about 6 years ago by Erwan <[email protected]>
add missing file

make CDSD-HITEMP dependant test optionals. TODO: switch some of the test cases to HITRAN, or down...

07a49a9ae864bc8006c5f34c6190e9a31e7bf5c8 authored about 6 years ago by Erwan <[email protected]>
cleaned code

afd24843c7f351d4442675b28736e1570d4e93e0 authored about 6 years ago by Erwan <[email protected]>
add missing file

d654599b5b5d122c248251923ea8a0f5ed42422e authored about 6 years ago by Erwan <[email protected]>
Merge pull request #25 from radis/from_neq

Add LBL part

45722d4264fc2d3d37d02fe7b4af416c5fecfba0 authored about 6 years ago by Erwan Pannier <[email protected]>
end of move, passes all tests

006a9f1dd59f0a6b71df17219c03c275fda1f2ec authored about 6 years ago by Erwan <[email protected]>
generalized CO2 calculations and moved them in vibrating rotor

fixed validations
1st CO2 spectrum (Klarenaar case) calculated with RADIS only, and no more NeQ!

ca5a3fd0841262a098750c5959f9cd05e1f6729a authored about 6 years ago by Erwan <[email protected]>
add missing files

be1bcc6800cfc0dedfd77c2da45430cb1d44190e authored over 6 years ago by Erwan <[email protected]>
added JSON loading for Herzberg convention, similar to the JSON loading for Dunham conventions.

Reactivated CO2

5ab09c23c7ccdccc82082b22e25f7779b50c9593 authored over 6 years ago by Erwan <[email protected]>
added HAPI, Specair, and Torch validation cases

f7aa23a2fd480a74dc2056fc355b87c41c49d11b authored over 6 years ago by Erwan <[email protected]>
add klarenaar 2017 validation case

acec4524029ea13f4f73b390b81b2489a35cd08c authored over 6 years ago by Erwan <[email protected]>
added missing test file

c0753a1063483a5c63223eb187404f0e6eec12a5 authored over 6 years ago by Erwan <[email protected]>
version getting ready for release

0f26b920e2f71c3a9386b0bba012aa30819a1922 authored over 6 years ago by Erwan <[email protected]>
fix some tests

4d8f65669fa8f56c216b057b50b2ddd9a6948fa0 authored over 6 years ago by Erwan <[email protected]>
fixed test, fixed names neq>radis

d28da2cf9955f535b2fafe87e786f35f8c939bac authored over 6 years ago by Erwan <[email protected]>
added test files

dd0faefc5171cdb62b0db235075c9d8afbfc0109 authored over 6 years ago by Erwan <[email protected]>
more moves

72f3588af7ea6f12f8ca3bdea7cf9baf66494e7a authored over 6 years ago by Erwan <[email protected]>
renamed neq->radis

9f1490c0de2f816eb0ba91f1b6ad3688b07c6ad1 authored over 6 years ago by Erwan <[email protected]>
add files from neq/spec in radis/lbl.

Started converting names

b3c783a234eeffc27fa99a0b7e9a1f78065382f9 authored over 6 years ago by Erwan <[email protected]>
fix test

7de1f874ff1c41d4a1cc188d64e2472df3777a75 authored over 6 years ago by Erwan <[email protected]>
add K2cm, cm2K

07d334d6a8ca5842736bf9574762a3d141ec0bfb authored over 6 years ago by Erwan Linux <[email protected]>
change for user:

s.replace_... :
- now returns the Spectrum so you can chain: s.replace_..().plot()
- option "in...

618c23c1162b4e93f059f91e270742fc4b527d7c authored over 6 years ago by Erwan <[email protected]>
MergeSlabs: force path_length to be defined

480aa9c0ba4ecc2bdae5bbd1b45c35378ebe0f21 authored over 6 years ago by Erwan <[email protected]>
fix docs

a4001dc2741eb7d4ff97119bb42806354bde9fc7 authored over 6 years ago by Erwan <[email protected]>
fix jsonable test during save

b5ef5e107acb9507568ab3ff5601aff57e3c1852 authored over 6 years ago by Erwan <[email protected]>
in plot_diff, normalize = True :

- rescaleFactore provided if verbose=True is the right one
- the method of difference is now appl...

45f76d3a956b538d2776819b0894b4c7bd2ac0d9 authored over 6 years ago by Nicolas MINESI <[email protected]>
(docs) add an image from the RADIS article as example of plot_diff

53c1c57d0335f52892066bc531d5f6018bd19937 authored over 6 years ago by Erwan <[email protected]>
(docs) update

0cd23d6a9c53df12495631d145ed39e0ed49d4ec authored over 6 years ago by Erwan <[email protected]>
(misc) update docs

9cdae876a85ca65c7d322a8ca76f5a329eb9194e authored over 6 years ago by Erwan <[email protected]>
add gascomp module with the eq_mole_fractions() function

update docs

baf2ec8402107b943b472a2f989ffb1d738f9596 authored over 6 years ago by Erwan <[email protected]>
(docs) add explicit references to CANTERA

8a7177a53528657a1d45d070493a5877b0a8ed14 authored over 6 years ago by Erwan <[email protected]>
(docs) fix links and typos in docs

29e30b54ab6d6170b276e182902bcf500882b5e2 authored over 6 years ago by Erwan <[email protected]>
(docs) explicitely mention new operators, reorganize the How to? part, add more docs and links

1e45339e799ff7dc4b7bc9c47220b084581089a2 authored over 6 years ago by Erwan <[email protected]>
(misc) capital Radiance / Transmittance only for convolved values

e39d41130de090773b51ced870d3d30179c5d261 authored over 6 years ago by Erwan <[email protected]>
define length of a Spectrum object: = length of the wavespace if unique, else raises an error

1dad0899465cb329cbf3abe5ce6b2298beeecc5b authored over 6 years ago by Erwan <[email protected]>
Merge branch 'develop' of https://github.com/radis/radis into develop

7126a424f5bc37d3ba72db7a0946a269ea297d5c authored over 6 years ago by Erwan Linux <[email protected]>
extra check when storing a Spectrum object that all conditions are jsonable.

51de6ee927c833fcdcc2e941fef3c9650af0dbd4 authored over 6 years ago by Erwan Linux <[email protected]>
Merge branch 'develop' of https://github.com/radis/radis into develop

2f7938c8a9ded773442bd215e8a9a6c5098241e0 authored over 6 years ago by gugzy <[email protected]>
allow to choose the name of the stored spectrum file with database.add

a1b0883093cb988dbb2ff9fe30ccaf08d46037ee authored over 6 years ago by gugzy <[email protected]>
option to plot several differences (ex: absolute diff AND ratio) in plot_diff

824eb472365c8bfbfae40a28695c03dfe20d387f authored over 6 years ago by Erwan <[email protected]>
Merge branch 'develop' of https://github.com/radis/radis into develop

e627f637d9973638c41d30824294d2961d4982dd authored over 6 years ago by Erwan Linux <[email protected]>
update error msg

a70e9d30180a4fd729a2fb76d1b65f44635b6b20 authored over 6 years ago by Erwan Linux <[email protected]>
(misc) updated plot_spec function

imprved some error msgs

042e4d442a6c375ba1adec09d096e34821cf6505 authored over 6 years ago by Erwan <[email protected]>
fix slit not saved in Spectrum object

fix a test

40b7f3395577a8134db1b2a4fdf24306eb41ce17 authored over 6 years ago by Erwan <[email protected]>
fix diff_window in plot_diff

8223ce62c184e202d470063e981aab7df7575005 authored over 6 years ago by Erwan Linux <[email protected]>
curve_functions: revert to initial grid after interpolating

fd928333c7bf5069248cbe6a65f25a4bd0d13f0d authored over 6 years ago by Erwan <[email protected]>
removed deprecated function

fixes tests

08c76900ae64ff43b2ad6a592e7f59b8807c6457 authored over 6 years ago by Erwan <[email protected]>
Spectrum: inverted Radiance/radiance shown as labels in plots (capital is for convolved quantities)

plot_diff: crop labels if they are too long

422479fba8c2b1b080875f67c366618470850af0 authored over 6 years ago by Erwan <[email protected]>
fix an bug in Spectrum offset

renamed out_of_bounds and resample_wavespace as simply 'out' and 'resample'

0642e8c0b405bf965a429cbc07a6ba3293074fcd authored over 6 years ago by Erwan <[email protected]>
when saving Spectrum objects, compress=True does not discard quantities anymore (but saves in binary format). It still does so if you choose compress=2 or above

5f9b5906f89f206f1b95d7277e6ea04e1f0d9d56 authored over 6 years ago by Erwan <[email protected]>
fix format

e7175ec24378f4bdde40d97a10b21968ba363b48 authored over 6 years ago by Erwan <[email protected]>
Merge remote-tracking branch 'origin/develop' into develop

cb3ef6d08f9ea5922f81a0458f8da7a1dbde5a31 authored over 6 years ago by Nicolas MINESI <[email protected]>