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• 5949060998 deploy: 9cdb57208fafef696a3a6f049fab09fdc0abb587 gh-pages mveril 2022-05-27 12:00:37 +00:00
• 9cdb57208f
  Fix dimethylaniline.xyz geometry master Mickaël Véril 2022-05-27 13:52:42 +02:00
• 9710ff4e30 implement __eq__, __str__, __repr__ and __hash__ for Python data classes when it's possible Mickaël Véril 2022-02-04 13:58:03 +01:00
• d08fb1da6e Dynamically import format handlers Mickaël Véril 2022-02-04 13:52:08 +01:00
• 1bfc45de52 cmd should not be removed from collection Mickaël Véril 2022-01-19 14:48:23 +01:00
• 28181e6925 Use PageRange package to interprete the \excludecolumns command in the input file (allow printer range syntax) Mickaël Véril 2022-01-18 15:32:11 +01:00
• 87e3329070 Fix bug in 5e1e328 Mickaël Véril 2022-01-18 10:35:13 +01:00
• 0760a41e7f deploy: 4da48cda3256d31b70499647423874d46b798b36 mveril 2022-01-18 09:30:59 +00:00
• 4da48cda32 Fix dataset links in faq Mickaël Véril 2022-01-18 10:29:17 +01:00
• 1265506821 deploy: 5e1e328cc3cea6428f4ebe776669413d479d1b1c mveril 2022-01-18 09:27:22 +00:00
• 5e1e328cc3 Fix typos Mickaël Véril 2022-01-18 10:25:50 +01:00
• 6a0838249c deploy: f0ab0482e059a2eb1b02a5bd3d3cc951d99064d8 pfloos 2021-12-07 12:26:55 +00:00
• f0ab0482e0 faq additions Pierre-Francois Loos 2021-12-07 13:25:50 +01:00
• 55196019a9 faq additions Pierre-Francois Loos 2021-12-07 13:25:27 +01:00
• 33afbd41eb deploy: da3007bf99d77a58d0e2ab5780fa4a79d668cfd1 mveril 2021-12-07 08:16:12 +00:00
• da3007bf99 Add the Frequently Asked Questions page Mickaël Véril 2021-12-07 09:11:36 +01:00
• 254ce6edf9 deploy: 816e4e6ec1411eef9c80b9967897a4b24f3f3263 mveril 2021-12-06 09:32:55 +00:00
• 816e4e6ec1 Fix QUEST#6 experimental Mickaël Véril 2021-12-04 16:19:35 +01:00
• 9b23fdce66 Add QUEST#7 publication Mickaël Véril 2021-12-04 12:42:13 +01:00
• 331bf4280e Add data from QUEST#6 main paper Mickaël Véril 2021-11-09 11:05:26 +01:00
• 1fdb7facf9 Enable picture and abstract for others publications Mickaël Véril 2021-12-01 20:10:10 +01:00
• e8aa3011d8 Add picture and abstract for Grotjahn publication Mickaël Véril 2021-12-01 20:09:42 +01:00
• 25f0f5099a Add Grotjahn publication Mickaël Véril 2021-12-01 17:52:04 +01:00
• 1389619261 deploy: 929b7725e1d8b3df62554571185c5f4c3a096e56 pfloos 2021-12-03 19:35:35 +00:00
• 929b7725e1 CT Pierre-Francois Loos 2021-12-03 20:34:42 +01:00
• c69561cbab deploy: c049155b62e052f072f2204c72d07e75ddaec250 pfloos 2021-12-03 19:33:27 +00:00
• c049155b62 CT Pierre-Francois Loos 2021-12-03 20:32:41 +01:00
• 009eecdc11 CT Pierre-Francois Loos 2021-12-03 20:32:14 +01:00
• 080ed64d6d CT Pierre-Francois Loos 2021-12-03 20:31:14 +01:00
• 5922d071b8 deploy: 242dde167e49d9dc60659966cda02400f820d7f5 pfloos 2021-12-03 19:28:10 +00:00
• 242dde167e CT Pierre-Francois Loos 2021-12-03 20:27:26 +01:00
• f0f3397062 deploy: a2374f8754e9b2d14cd7bef014cfca86cd6efece pfloos 2021-12-03 19:24:07 +00:00
• 426e6bf368 deploy: fd5e71fce5621d7b06d857a9a2c02598b9a3263d pfloos 2021-12-03 19:23:41 +00:00
• a2374f8754 CT Pierre-Francois Loos 2021-12-03 20:23:20 +01:00
• fd5e71fce5 CT Pierre-Francois Loos 2021-12-03 20:22:58 +01:00
• dd613ce357 deploy: 02d026639fe97c4abbd64178669e36081fcdb48a pfloos 2021-12-03 19:21:06 +00:00
• 02d026639f CT Pierre-Francois Loos 2021-12-03 20:20:20 +01:00
• baaa3e85cf deploy: 60dc8f741191f455531030bac57409c00f5ffd14 pfloos 2021-12-03 19:15:56 +00:00
• 60dc8f7411 QUEST 6 and 7 Pierre-Francois Loos 2021-12-03 20:15:12 +01:00
• 2e03fe9c05 deploy: f9d9acf9857c6a0da020f20587956d8a0afba815 pfloos 2021-12-03 19:03:41 +00:00
• f9d9acf985 subsets Pierre-Francois Loos 2021-12-03 20:02:55 +01:00
• 169a0feec6 deploy: 0c43f9a336b8456be0a1d42987c5f58e8d45cd52 pfloos 2021-12-03 11:49:26 +00:00
• b01e6c7733 deploy: 4d41c1d8e3ddf80170350b759cefea65f45db8dc pfloos 2021-12-03 11:49:07 +00:00
• 0c43f9a336 test Pierre-Francois Loos 2021-12-03 12:48:45 +01:00
• 4d41c1d8e3 test Pierre-Francois Loos 2021-12-03 12:48:21 +01:00
• 9ef9dc7b9e deploy: 718795aebb44b5c7ca4c5f3bd1c5246e899b3270 scemama 2021-11-29 12:49:42 +00:00
• 718795aebb More explicit export buttons Mickaël Véril 2021-11-29 11:42:12 +01:00
• b5ef408750 Fix subsets size Mickaël Véril 2021-11-25 11:48:01 +01:00
• cbb0e351fe Update subsets Mickaël Véril 2021-11-24 18:11:00 +01:00
• d7ff0d01c0 deploy: 51e60c9c087e3f4ca4ddb43c0637932499df25b3 scemama 2021-11-12 17:14:41 +00:00
• 51e60c9c08 Add CT support Mickaël Véril 2021-11-09 10:51:47 +01:00
• ebffabb384 Fix CT transition for hydrogen chloride Mickaël Véril 2021-11-09 10:51:16 +01:00
• e0e3bb1597 Support LaTex in molecule name Mickaël Véril 2021-11-09 10:37:33 +01:00
• c3b19c8f7a Fix pubimport picture file extension Mickaël Véril 2021-11-09 10:35:16 +01:00
• d13096959c Add many options to datafilebuilder input to exclude columns, set defaultBasis (for formats that need it) or add metadata like geometry or set Mickaël Véril 2021-11-09 10:34:48 +01:00
• 03211e9aad deploy: c3f18d575eee8d64be3136c046499347141a4f6b scemama 2021-11-03 12:29:53 +00:00
• c3f18d575e New reference for excitation type is now only TBE_aug-cc-pVTZ Mickaël Véril 2021-11-03 12:07:41 +01:00
• ba68dc7b5c Fix symmetry Mickaël Véril 2021-11-03 09:11:40 +01:00
• dbfe677e2b last input correction Mickaël Véril 2021-11-03 08:04:24 +01:00
• 990e838577 Replace QUEST#2,1 by QUEST#2,0 Mickaël Véril 2021-11-03 07:53:53 +01:00
• 76e76aacb9 Big fix for double and formamide Mickaël Véril 2021-11-02 19:13:29 +01:00
• fa10f600b8 Update QUEST#2 Mickaël Véril 2021-10-30 16:59:30 +02:00
• 7fe13a7600 Update the fromXLSToLaTeX format to correctly handle double Mickaël Véril 2021-10-30 16:59:14 +02:00
• 2d8ed7b9f7 Add input file for double Mickaël Véril 2021-10-30 16:57:15 +02:00
• c85e67c167 Fix "n.d." Mickaël Véril 2021-10-29 15:37:20 +02:00
• c726155e81 Some fixes and update on data Mickaël Véril 2021-10-27 17:04:56 +02:00
• 2ae35850e1 Fix the inversion of 3 and 4 ^1A^\prime of formamide Mickaël Véril 2021-03-29 17:11:11 +02:00
• baca7f5d96 Update data except QUEST#2 Mickaël Véril 2021-03-29 16:33:35 +02:00
• 7e0e677627 Fix excel2 Mickaël Véril 2021-03-29 16:28:30 +02:00
• ae49e99be1 New xlsx wo QUEST#2 Mickaël Véril 2021-03-23 11:25:22 +01:00
• 391206b876 deploy: b08795c66bd49f675950c6ed9187011fb4f56090 scemama 2021-09-01 17:40:42 +00:00
• b08795c66b Fix subtitle Mickaël Véril 2021-09-01 19:23:02 +02:00
• 3f833fc5a5 deploy: da587e6168b4491d1bac86a7e87612e401459a9e scemama 2021-03-29 16:12:46 +00:00
• 8d6e67c69c Update known working versions Mickaël Véril 2021-03-29 09:30:11 +02:00
• dfcc0e2d67 Update the requirements.txt to take into account the incompatibility bugs with recent versions of TexSoup and NumPy Mickaël Véril 2021-03-23 13:32:44 +01:00
• fd363c200a Change requirements to use >= Mickaël Véril 2021-03-22 14:27:23 +01:00
• abb1c9ec46 Add requirements.txt Mickaël Véril 2021-03-16 18:57:08 +01:00
• da587e6168 Fix metarecover Mickaël Véril 2021-03-27 15:51:20 +01:00
• dd43e12626 isSameArticle fix Mickaël Véril 2021-03-27 15:51:01 +01:00
• 56b4ff0435 fileName check in toFile method Mickaël Véril 2021-03-27 15:49:53 +01:00
• d46e0af490 Add CT and n.d support Mickaël Véril 2021-03-27 15:48:50 +01:00
• 2de3b19f4b deploy: 659bd97dd3108a4911531d2893bf2c7f0f274c89 scemama 2021-03-01 15:26:54 +00:00
• 659bd97dd3 Support indexed date Mickaël Véril 2021-03-01 15:32:40 +01:00
• 04a0d193af Update metadata for QUEST#5 publication from crossref Mickaël Véril 2021-03-01 10:47:21 +01:00
• 7a9903ba75 deploy: 0c30ae95d256dcaf6073a10b54e339c16c41fa17 scemama 2021-02-18 10:05:19 +00:00
• 0c30ae95d2 Remove unused code Mickaël Véril 2021-02-18 10:44:24 +01:00
• ae89166163 Add QUEST#5 publication Mickaël Véril 2021-02-18 10:26:39 +01:00
• 14ae7312fc Improvements for publications Mickaël Véril 2021-02-17 16:39:54 +01:00
• d4a733ad10 deploy: d1af83bbf9cb5fd620b1b60ba97592893587a0ec scemama 2020-12-18 10:56:59 +00:00
• d1af83bbf9
  Fix missing abstracts (#15) Mickaël Véril 2020-12-18 11:56:00 +01:00
• d1f6229d84 deploy: 78fc5dd6737eff96895af8ba4b8ab0469f85d79e scemama 2020-12-11 09:45:33 +00:00
• 78fc5dd673
  Fixes in the loading process (#14) mveril 2020-12-11 10:44:35 +01:00
• 46f610ea71 deploy: bebcfdd9596ca90f9c1ca210a68569b767fdfbce scemama 2020-12-08 14:05:44 +00:00
• bebcfdd959
  Fix null array in yaml (#13) mveril 2020-12-08 15:04:40 +01:00
• d21a15300a deploy: 24241a12075c2410ba7ad4a0a30c1a90fad80b08 scemama 2020-12-08 12:45:10 +00:00
• b3162f8d1f deploy: 78380482230698c9dc1b20675af928ad864a0da7 scemama 2020-12-08 12:44:18 +00:00
• 24241a1207
  Create a root folder for the molecules.zip file (#10) mveril 2020-12-08 13:43:22 +01:00
• 7838048223
  Better csv (#11) mveril 2020-12-08 13:42:47 +01:00
• 18d01ea689 deploy: 24cc2153e0c717e0a49a73549ababe93f8a51a4a scemama 2020-12-08 12:41:38 +00:00
• 24cc2153e0
  Explicit others section in the yaml file (#12) mveril 2020-12-08 13:40:41 +01:00