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

Merge pull request #503 from erwanp/2208/update-chunksize-test

update chunksize test to make it faster - and RT minor perf improvement

91bfcd0bd2c317a17fc80e8150322370ccba321d authored over 2 years ago by Erwan Pannier <[email protected]>

add config parameter "RESAMPLING_TOLERANCE_THRESHOLD" to deal with resampling errors globally

add copy_array=False option in s.take(), improve MergeSlabs performance by using it

1a9abf25b49420d4de6263caea37396b180e6be8 authored over 2 years ago by Erwan Pannier <[email protected]>

Improved the warning description

65162930f8605b330e1a24cd586aa0508a42ff95 authored over 2 years ago by Sagar Chotalia <[email protected]>

removed loader.py changes

7709bcba5d51f7567e42bc24e529f150112effc2 authored over 2 years ago by Supriya1702 <[email protected]>

Added conditions to raise accuracy warning and cleaning Nan columns

01a741a44eb458be2e2daac165cd276ca4f32f28 authored over 2 years ago by Supriya1702 <[email protected]>

[skip ci] update config file docs

3e8f6fb16538188ea14963e8f0c1ba1112ad9512 authored over 2 years ago by Erwan Pannier <[email protected]>

update docs, in particular references to ElectronicStates & examples

make calc_spectrum(..., return_factory=True) returns the factory directly if only one molecule

7ebf49e1827bbdd8e10f33b6b6bed10b256f4ed2 authored over 2 years ago by Erwan Pannier <[email protected]>

Made raising the PerformanceWarning more compact

2cfd840de08c99f28325aa7770ca9fc51939a6cb authored over 2 years ago by Sagar Chotalia <[email protected]>

update chunksize test to make it faster

@sagarchotalia Nchunk != 1 must be tested

5923de86f819bec448cf57cfd4c44748cdff52fd authored over 2 years ago by Erwan Pannier <[email protected]>

Merge pull request #502 from erwanp/add/update-docs

Remove RTD special vaex handling

37829da89a3aeeab59145d7e9be29478d67be469 authored over 2 years ago by Erwan Pannier <[email protected]>

remove readthedocs special handling of Vaex (former #404 error)

8a6698af0407e6cc7eb1cd7ca265f05381f8ab4e authored over 2 years ago by Erwan Pannier <[email protected]>

update docs, update example to add logscale

32c36e44bf1fc85b0274e70182af5a6457d4836c authored over 2 years ago by Erwan Pannier <[email protected]>

Merge pull request #498 from erwanp/add/update-docs

update physics constants to NIST CODATA standards, update docs

b54be7bb4b88bdfe782dd173f23c30cfe1106e0a authored over 2 years ago by Erwan Pannier <[email protected]>

fix test due to updated physical constants, update hardcoded values when needed

fixed some warnings

58489f0bb551083fd9d25a438d130c0a8e978b68 authored over 2 years ago by Erwan Pannier <[email protected]>

Made the warning more descriptive

1e8890ced628a04f433f636a3b6c6165546d5813 authored over 2 years ago by Sagar Chotalia <[email protected]>

Merge branch 'develop' into add/update-docs

2bc2aaa67439e598c2b46ba2819ba7f350d55c00 authored over 2 years ago by Erwan Pannier <[email protected]>

reduce GPU example range to download 2 instead of 3 CO2 files (saves bandwith & time in CI tests)

update Vaex Explore database to use CO2 (more lines than CO), since it's already there

ca197683f2078c14795d80e8fd9b77e46550ff1d authored over 2 years ago by Erwan Pannier <[email protected]>

escape readthedocs example

(see #501)

4fdf1cb906fa75f96a2d6f6cfbde577d6e63c1f7 authored over 2 years ago by Erwan Pannier <[email protected]>

improve comments appearance in example

7cb7182dfcb7b575bedfbc0c3e304634cf1b7b5a authored over 2 years ago by Erwan Pannier <[email protected]>

new Gallery Example showing how to use Vaex visualizations to explore a large database

9f1802f89e651e3a5c30a9701acf6604e6150666 authored over 2 years ago by Erwan Pannier <[email protected]>

Fixing the case when the chunksize is too small

d705b0f544261417013b6d58fe76a591c88d1088 authored over 2 years ago by Sagar Chotalia <[email protected]>

removed unwanted column from columns_2004

221a18987719422c607193a2c81287b23f0e015a authored over 2 years ago by Supriya1702 <[email protected]>

Fixed Linting

f293473619ddb825114dc0a7ef8903090d6fc49a authored over 2 years ago by Supriya1702 <[email protected]>

Updated pressure_broadening_HWHM for non-air diluents

0546d22847107af0ef4f602ef7dd2516f884c2de authored over 2 years ago by Supriya1702 <[email protected]>

Modifying calc_spectrum and SpectrumFactory to add diluent parameter

b50182d412d87f85a05d5f7c55ad054b1f80cac1 authored over 2 years ago by Supriya1702 <[email protected]>

Using local table cache to load extra columns

c470fca8146e2fbca3587c52fc6c9226555a4a92 authored over 2 years ago by Supriya1702 <[email protected]>

Merge pull request #499 from erwanp/fix/specutils-io

fix specutils i/o when dealing with wavelngths

90231d62ac57ec4f9ddeb99977ff372ac0d8b55b authored over 2 years ago by Erwan Pannier <[email protected]>

update docs, fix warnings, to trigger the CI again

91143a9dcca4eb3637b0a1c78b7bb37218c6e744 authored over 2 years ago by Erwan Pannier <[email protected]>

(misc) update docs, fix some warnings

916303f57dcd13e48cc8e9cf66beb81d5a0bfd34 authored over 2 years ago by Erwan Pannier <[email protected]>

(misc) mention Radis-Lab on online example Galleries

5f5a957493d5224a32cca4c5328564340f0aa7ed authored over 2 years ago by Erwan Pannier <[email protected]>

add newly supported ExoMol molecules (fixes tests)

03cb7826009a240df2cf62448347e8b4741b9268 authored over 2 years ago by Erwan Pannier <[email protected]>

fix specutils i/o when dealing with wavelngths

add test

4147b1ba0d508c0e6a00dbfd225cbda06cb3fbfc authored over 2 years ago by Erwan Pannier <[email protected]>

Merge pull request #489 from sagarchotalia/develop

Chunk size implementation for DIT Algorithm loops for Broadening

2707fbedeef3f06e5a22691560cb44ef54050f14 authored over 2 years ago by Erwan Pannier <[email protected]>

Added baseline function from PeakUtils to fix the error in operations.py

46696311d856548a136ee73058d114e809e92e54 authored over 2 years ago by Sagar Chotalia <[email protected]>

Fixed error caused by improper predicting of time

faeaa5899308c67fb9797ed6881e794685dcad08 authored over 2 years ago by Sagar Chotalia <[email protected]>

Fixed chunksize variable name

712cf719f8f62a597bb71f07df38aaeef834ea16 authored over 2 years ago by Sagar Chotalia <[email protected]>

Update radis/test/lbl/test_broadening.py

Making sure chunksize is taken into account in Spectrum Conditions, as per the suggestion by Er...

ee6624bd3f03fc89d8a82df5bbc6e364255e91a4 authored over 2 years ago by Sagar Chotalia <[email protected]>

Fixed the test function

dda65b8e8e6cce60b3f0917895357104d092d3c3 authored over 2 years ago by Sagar Chotalia <[email protected]>

update Example gallery docs; mention Radis-Lab

809bd9375ddd2ee7ed3f7b0a0a92bfc2f3be4216 authored over 2 years ago by Erwan Pannier <[email protected]>

update exomol docs, improve error message

bbbd47392cdd6576964c1ff683fbfa7a3364a8f8 authored over 2 years ago by Erwan Pannier <[email protected]>

update constants

0ce75a02cc6631305486e3692999e3868bd469ed authored over 2 years ago by Erwan Pannier <[email protected]>

Added usage example in function docs

006309f8022b4b2a029af3a299028efff7b8e431 authored over 2 years ago by Sagar Chotalia <[email protected]>

Revert "Added chunksize for non-equilibrium, DIT algorithm loops"

This reverts commit 06210682856cbc61acb29bc82439179b0fc151bb.

288f61dd4233ce24bebfdf600b2341975c335655 authored over 2 years ago by Sagar Chotalia <[email protected]>

Added chunksize for non-equilibrium, DIT algorithm loops

06210682856cbc61acb29bc82439179b0fc151bb authored over 2 years ago by Sagar Chotalia <[email protected]>

Added test for the chunksize implementation

00dde956a8af5357e7cd1ceafbfeec12b181d355 authored over 2 years ago by Sagar Chotalia <[email protected]>

Renamed local variables

0a9788d120636569ac470ecb47d8ece4bda87afc authored over 2 years ago by Sagar Chotalia <[email protected]>

Fixed the chunksize error

4bb56ab08162090d70f8f43d9caa1877cbb7fc3e authored over 2 years ago by Sagar Chotalia <[email protected]>

reformatted hitran.py and dbmanager.py

75866817f3e5360e4b38bf8875413b2f9859567c authored over 2 years ago by Supriya1702 <[email protected]>

replaced hit2df with LOCAL_TABLE_CACHE and loaded extra columns

06e2891ffda4ca6e82a1f49b82562ab918acfd60 authored over 2 years ago by Supriya1702 <[email protected]>

Added loops for updating array values and feeding to _apply_lineshape_LDM

e34e2454905d85a0d3e546860292b84446b60c80 authored over 2 years ago by Sagar Chotalia <[email protected]>

Merge branch 'radis:develop' into develop

e478467a7c917444705efc4361dd4301b882bda3 authored over 2 years ago by Sagar Chotalia <[email protected]>

Merge pull request #487 from erwanp/add/fix-api-issues

Fix HDF5/ api issues

b853a26b34a0b9b53670062a2214da4d134ec391 authored over 2 years ago by Erwan Pannier <[email protected]>

Merge pull request #490 from anandxkumar/fix486

Updated numpy<=1.22.3 and fixed linting

20e6b00d259a88d446d48e75c904630d4005ba2a authored over 2 years ago by Anand Kumar <[email protected]>

using isort:off and on

21ae913814f659431323b8c9a29f47912c9b8474 authored over 2 years ago by anandxkumar <[email protected]>

updated gpu.py

1f9e35f1d6ef863c71541290badd42a80c548e9d authored over 2 years ago by anandxkumar <[email protected]>

Replaced absorption with abscoeff for non-optimized, no chunk loop

b8aff13b37ef117bfbe9e82e284d400a6378cae8 authored over 2 years ago by Sagar Chotalia <[email protected]>

Updated numpy<=1.22.3 and fixed linting

ec158807ff9ccc9b903e19ba06eb125accbfd631 authored over 2 years ago by anandxkumar <[email protected]>

Added chunk size implementation for DIT Algorithm loops for broadening of lines.

e263a7f811a769f555f1cd5f8a4539fb0344aa16 authored over 2 years ago by Sagar Chotalia <[email protected]>

update vaex requirement.

Fixes #486

19e337a4c0a2d11741a05262694e94f436184534 authored over 2 years ago by Erwan Pannier <[email protected]>

fix a test stuck in plot mode

50451a8926af6c8b0da7e52a54e0ab83117694ce authored over 2 years ago by Erwan Linux <[email protected]>

fix HITRANManager syntax

516fdb9695859a8e166ce5605d1023da0057a5d1 authored over 2 years ago by Erwan Linux <[email protected]>

hotfix. Fixed fetch_geisa syntax (new api)

1136890cc2b84734fe037373a48969b3444ce190 authored over 2 years ago by Erwan Pannier <[email protected]>

Merge pull request #481 from Supriya1702/whitespaces_fix

Whitespaces fix

6342af2e8caacd92ac445a46915581b376e7db6e authored over 2 years ago by Erwan Pannier <[email protected]>

Fixed whitespaces around flowchart

4ea7c76a9f59a3c9718258a06ef0721c5cef9dcc authored over 2 years ago by Supriya1702 <[email protected]>

linting

a808cf3fde45bb3eaf787c7f11c52263c4fc1be9 authored over 2 years ago by Erwan Pannier <[email protected]>

Merge pull request #465 from erwanp/fix/exomol_api_update

DBManager Refactor and simplification of ExoMol MdBMol

c5b130dd6c5f8f48c8854ba85dcc291f974c9f42 authored over 2 years ago by Erwan Pannier <[email protected]>

linting

7d694c319311225288a3c30d7123f5d60f2ba15e authored over 2 years ago by Erwan Pannier <[email protected]>

improve error message if file corrupted during download

5934b029c818ad3c27adf0c54590f469ce8e6cd3 authored over 2 years ago by Erwan Pannier <[email protected]>

Resolution proposal for bug #460

6026b71c0697b7f34c4710085ed8354f442a3c07 authored over 2 years ago by AllanHOlesenBW <[email protected]>

Merge pull request #475 from sonikarajesh/develop

Added the Radis Website Link

ca42aad9fb1481e1dce14b11831b39f10d8225d9 authored over 2 years ago by Erwan Pannier <[email protected]>

done

2038edef4eb8f46b5839acf15ede3408aba4110d authored over 2 years ago by Sonika <[email protected]>

done

f45348fddd6ebc60376d954e328c3b874f2113e5 authored over 2 years ago by Sonika <[email protected]>

corrected

501c22af7847572553aa3835bf8839e8f112997e authored over 2 years ago by Sonika <[email protected]>

Added Radis Website Link

9c1e051b1cb14bb1bcf507e91133607e0a072fc1 authored over 2 years ago by Sonika <[email protected]>

test

37297f16f9f45db547eb5580a46880c622f6f81f authored over 2 years ago by Sonika <[email protected]>

Modification during the retrieval of the EXOMOL database :

- update of the default minimum wavenumber from -np.inf to 0.
- update of the start and end indic...

52955aec487a031f0c23f282e7e21cfafff323b2 authored over 2 years ago by Mariotto Pierre <[email protected]>

Two fixes for Exomol data loading:

1. consider the special case where the is no recommended Exomol database.
2. add an option to ski...

c5cbccc4c9a54a8a8c3d876d7dd94f005d2387a4 authored over 2 years ago by Mariotto Pierre <[email protected]>

linting

ae900051a1d2835828b502a321cbab60da320cab authored over 2 years ago by Erwan Pannier <[email protected]>

update Geisa to new DatabaseManager

a9560cceef9fd141385dbfe91952fb0e160fe9eb authored over 2 years ago by Erwan Pannier <[email protected]>

fix

e7267209290fe46e0a3b21f1752105c0741e8a98 authored over 2 years ago by Erwan Pannier <[email protected]>

fix issue if using '/' in vaex column names

https://github.com/radis/radis/issues/473
(interface change) fetch_exomol does not fetch quantum ...

c1d9ea40570c13e0531ac474e6088296fc5c7d09 authored over 2 years ago by Erwan Pannier <[email protected]>

rename

67720a5e8015c5b13725a6397005f754a574a5d3 authored over 2 years ago by Erwan Pannier <[email protected]>

fix jax/pandas/vaex output format in fetch_exomol()

some refactor to work with all 3 output formats

4613ba16f02b5766325ac2dcb6e63ef314307416 authored over 2 years ago by Erwan Pannier <[email protected]>

start xvfb service

46fe9912ab5b5c7f837227e394cc9ab964876a64 authored over 2 years ago by Erwan Pannier <[email protected]>

add option cache='force' which fails if no cache (useful for debugging)

run examples only at the end of all tests

73a41730768f2fc90412e2b7ab8fe2359c49cea4 authored over 2 years ago by Erwan Pannier <[email protected]>

fix typos ; fix jax.numpy import

add Exojax's style MdbExomol import

4bdd18669cdcd4ff8fe9d2d6dd64437c51020da6 authored over 2 years ago by Erwan Pannier <[email protected]>

fix

cc07843ea8fb10eadfc6db6a6828c8bfd9d0f64a authored over 2 years ago by Erwan Pannier <[email protected]>

use -a option in xvfb-run to try to fix Travis-Ci errors

see https://github.com/travis-ci/docs-travis-ci-com/pull/311

32b981b9a02082a68b9be2deeb9f3b6587eabca2 authored over 2 years ago by Erwan Pannier <[email protected]>

Refactor:

- HDF5Manager generalized to DFrameManager (compatbile with Feather)
- MdBExoMol uses DbManager ...

da4fb3139864fa8c844ef2cde99f1d41783f1b21 authored over 2 years ago by Erwan Pannier <[email protected]>

fix errors, refactor

831b273a44ce2b977934020925d36e5c4a1ac8c5 authored over 2 years ago by Erwan Pannier <[email protected]>

MdBExoMol Refactor

more abstraction in DBManager load conditions

3a2bb24babd5c5cbbe26a2bb6bbf920bce3dfa6d authored over 2 years ago by Erwan Pannier <[email protected]>

Merge pull request #471 from erwanp/add/geisa-docs

geisa docs & line-survey

5988d9e5095fc6ca011e2eb3947c71a44ea3c07b authored over 2 years ago by Erwan Pannier <[email protected]>

fix plot unit pb

fix line-survey

caf2df93aadcd3edaf39fee44cfb9c3ff3f02a09 authored over 2 years ago by Erwan Pannier <[email protected]>

0.13.0

c3ca7c45f41e0e3d894063ef6c4bccbcdfa68ad8 authored over 2 years ago by Erwan Pannier <[email protected]>

prevent parsing of globu, locu in GEISA database (not implemetned yet)

88086f4bfe73bd86c98d5c5842debac27641d3bf authored over 2 years ago by Erwan Pannier <[email protected]>

add export lines option in Mergeslabs

add line_survey support for multiple molecules
add a global-fallback for line-survey labels (Line...

6241c7bd51a77f34b14a276e45496014552f2393 authored over 2 years ago by Erwan Pannier <[email protected]>

Merge pull request #467 from erwanp/add/consistent-units

Add consistent units

17c33f6a1fa0f3d4c92e556c4b18ddd54b4a2996 authored over 2 years ago by Erwan Pannier <[email protected]>

run examples only at the end of all tests

8dbf86f333bc6cb75b1627a810288051e8f80ffa authored over 2 years ago by Erwan Pannier <[email protected]>

fix tests

d224723cffcbf357c43d061fbbedeb4c517a9e2c authored over 2 years ago by Erwan Pannier <[email protected]>

fix errors introduced in 227bce5d where recomputed arrays became different from initial arrays (due to Iunit not specified)

add exhaustive tests, testing every possible recalculation pathway (test_rescale.py)

also:
- sho...

73865759454bf006441f467ce7d58bf16987c6ae authored over 2 years ago by Erwan Pannier <[email protected]>