Commit Graph

Select branches

Hide Pull Requests

gh-pages

master

#1

#10

#11

#12

#13

#14

#15

#16

#17

#18

#19

#2

#20

#21

#22

#23

#24

#3

#4

#5

#6

#7

#8

#9

Mono Color

• 5949060998 deploy: 9cdb57208f gh-pages mveril 2022-05-27 12:00:37 +0000
• 9cdb57208f
  Fix dimethylaniline.xyz geometry master Mickaël Véril 2022-05-27 13:52:42 +0200
• 9710ff4e30 implement __eq__, __str__, __repr__ and __hash__ for Python data classes when it's possible Mickaël Véril 2022-02-04 13:58:03 +0100
• d08fb1da6e Dynamically import format handlers Mickaël Véril 2022-02-04 13:52:08 +0100
• 1bfc45de52 cmd should not be removed from collection Mickaël Véril 2022-01-19 14:48:23 +0100
• 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 +0100
• 87e3329070 Fix bug in 5e1e328 Mickaël Véril 2022-01-18 10:35:13 +0100
• 0760a41e7f deploy: 4da48cda32 mveril 2022-01-18 09:30:59 +0000
• 4da48cda32 Fix dataset links in faq Mickaël Véril 2022-01-18 10:29:17 +0100
• 1265506821 deploy: 5e1e328cc3 mveril 2022-01-18 09:27:22 +0000
• 5e1e328cc3 Fix typos Mickaël Véril 2022-01-18 10:25:50 +0100
• 6a0838249c deploy: f0ab0482e0 pfloos 2021-12-07 12:26:55 +0000
• f0ab0482e0 faq additions Pierre-Francois Loos 2021-12-07 13:25:50 +0100
• 55196019a9 faq additions Pierre-Francois Loos 2021-12-07 13:25:27 +0100
• 33afbd41eb deploy: da3007bf99 mveril 2021-12-07 08:16:12 +0000
• da3007bf99 Add the Frequently Asked Questions page Mickaël Véril 2021-12-07 09:11:36 +0100
• 254ce6edf9 deploy: 816e4e6ec1 mveril 2021-12-06 09:32:55 +0000
• 816e4e6ec1 Fix QUEST#6 experimental Mickaël Véril 2021-12-04 16:19:35 +0100
• 9b23fdce66 Add QUEST#7 publication Mickaël Véril 2021-12-04 12:42:13 +0100
• 331bf4280e Add data from QUEST#6 main paper Mickaël Véril 2021-11-09 11:05:26 +0100
• 1fdb7facf9 Enable picture and abstract for others publications Mickaël Véril 2021-12-01 20:10:10 +0100
• e8aa3011d8 Add picture and abstract for Grotjahn publication Mickaël Véril 2021-12-01 20:09:42 +0100
• 25f0f5099a Add Grotjahn publication Mickaël Véril 2021-12-01 17:52:04 +0100
• 1389619261 deploy: 929b7725e1 pfloos 2021-12-03 19:35:35 +0000
• 929b7725e1 CT Pierre-Francois Loos 2021-12-03 20:34:42 +0100
• c69561cbab deploy: c049155b62 pfloos 2021-12-03 19:33:27 +0000
• c049155b62 CT Pierre-Francois Loos 2021-12-03 20:32:41 +0100
• 009eecdc11 CT Pierre-Francois Loos 2021-12-03 20:32:14 +0100
• 080ed64d6d CT Pierre-Francois Loos 2021-12-03 20:31:14 +0100
• 5922d071b8 deploy: 242dde167e pfloos 2021-12-03 19:28:10 +0000
• 242dde167e CT Pierre-Francois Loos 2021-12-03 20:27:26 +0100
• f0f3397062 deploy: a2374f8754 pfloos 2021-12-03 19:24:07 +0000
• 426e6bf368 deploy: fd5e71fce5 pfloos 2021-12-03 19:23:41 +0000
• a2374f8754 CT Pierre-Francois Loos 2021-12-03 20:23:20 +0100
• fd5e71fce5 CT Pierre-Francois Loos 2021-12-03 20:22:58 +0100
• dd613ce357 deploy: 02d026639f pfloos 2021-12-03 19:21:06 +0000
• 02d026639f CT Pierre-Francois Loos 2021-12-03 20:20:20 +0100
• baaa3e85cf deploy: 60dc8f7411 pfloos 2021-12-03 19:15:56 +0000
• 60dc8f7411 QUEST 6 and 7 Pierre-Francois Loos 2021-12-03 20:15:12 +0100
• 2e03fe9c05 deploy: f9d9acf985 pfloos 2021-12-03 19:03:41 +0000
• f9d9acf985 subsets Pierre-Francois Loos 2021-12-03 20:02:55 +0100
• 169a0feec6 deploy: 0c43f9a336 pfloos 2021-12-03 11:49:26 +0000
• b01e6c7733 deploy: 4d41c1d8e3 pfloos 2021-12-03 11:49:07 +0000
• 0c43f9a336 test Pierre-Francois Loos 2021-12-03 12:48:45 +0100
• 4d41c1d8e3 test Pierre-Francois Loos 2021-12-03 12:48:21 +0100
• 9ef9dc7b9e deploy: 718795aebb scemama 2021-11-29 12:49:42 +0000
• 718795aebb More explicit export buttons Mickaël Véril 2021-11-29 11:42:12 +0100
• b5ef408750 Fix subsets size Mickaël Véril 2021-11-25 11:48:01 +0100
• cbb0e351fe Update subsets Mickaël Véril 2021-11-24 18:11:00 +0100
• fc3eb14fe7 More explicit export buttons Mickaël Véril 2021-11-29 11:42:12 +0100
• 202fc10783 Fix subsets size Mickaël Véril 2021-11-25 11:48:01 +0100
• 6da2199c17 Update subsets Mickaël Véril 2021-11-24 18:11:00 +0100
• d7ff0d01c0 deploy: 51e60c9c08 scemama 2021-11-12 17:14:41 +0000
• 51e60c9c08 Add CT support Mickaël Véril 2021-11-09 10:51:47 +0100
• ebffabb384 Fix CT transition for hydrogen chloride Mickaël Véril 2021-11-09 10:51:16 +0100
• e0e3bb1597 Support LaTex in molecule name Mickaël Véril 2021-11-09 10:37:33 +0100
• c3b19c8f7a Fix pubimport picture file extension Mickaël Véril 2021-11-09 10:35:16 +0100
• 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 +0100
• 6ef09d7c5f Add CT support Mickaël Véril 2021-11-09 10:51:47 +0100
• ef9a0e8498 Fix CT transition for hydrogen chloride Mickaël Véril 2021-11-09 10:51:16 +0100
• e16bb2bab3 Support LaTex in molecule name Mickaël Véril 2021-11-09 10:37:33 +0100
• b1bc427134 Fix pubimport picture file extension Mickaël Véril 2021-11-09 10:35:16 +0100
• b969de1cb6 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 +0100
• 03211e9aad deploy: c3f18d575e scemama 2021-11-03 12:29:53 +0000
• c3f18d575e New reference for excitation type is now only TBE_aug-cc-pVTZ Mickaël Véril 2021-11-03 12:07:41 +0100
• ba68dc7b5c Fix symmetry Mickaël Véril 2021-11-03 09:11:40 +0100
• dbfe677e2b last input correction Mickaël Véril 2021-11-03 08:04:24 +0100
• 990e838577 Replace QUEST#2,1 by QUEST#2,0 Mickaël Véril 2021-11-03 07:53:53 +0100
• 76e76aacb9 Big fix for double and formamide Mickaël Véril 2021-11-02 19:13:29 +0100
• fa10f600b8 Update QUEST#2 Mickaël Véril 2021-10-30 16:59:30 +0200
• 7fe13a7600 Update the fromXLSToLaTeX format to correctly handle double Mickaël Véril 2021-10-30 16:59:14 +0200
• 2d8ed7b9f7 Add input file for double Mickaël Véril 2021-10-30 16:57:15 +0200
• c85e67c167 Fix "n.d." Mickaël Véril 2021-10-29 15:37:20 +0200
• c726155e81 Some fixes and update on data Mickaël Véril 2021-10-27 17:04:56 +0200
• 2ae35850e1 Fix the inversion of 3 and 4 ^1A^\prime of formamide Mickaël Véril 2021-03-29 17:11:11 +0200
• baca7f5d96 Update data except QUEST#2 Mickaël Véril 2021-03-29 16:33:35 +0200
• 7e0e677627 Fix excel2 Mickaël Véril 2021-03-29 16:28:30 +0200
• ae49e99be1 New xlsx wo QUEST#2 Mickaël Véril 2021-03-23 11:25:22 +0100
• f67f6e9298 New reference for excitation type is now only TBE_aug-cc-pVTZ Mickaël Véril 2021-11-03 12:07:41 +0100
• 2f23ff9c4a Fix symmetry Mickaël Véril 2021-11-03 09:11:40 +0100
• da3079e47d last input correction Mickaël Véril 2021-11-03 08:04:24 +0100
• 4a29f50fc0 Replace QUEST#2,1 by QUEST#2,0 Mickaël Véril 2021-11-03 07:53:53 +0100
• fbdcf3fd69 Big fix for double and formamide Mickaël Véril 2021-11-02 19:13:29 +0100
• 531f5d35be Update QUEST#2 Mickaël Véril 2021-10-30 16:59:30 +0200
• 46f91670b4 Update the fromXLSToLaTeX format to correctly handle double Mickaël Véril 2021-10-30 16:59:14 +0200
• 1a52a578ac Add input file for double Mickaël Véril 2021-10-30 16:57:15 +0200
• e4b5168fd8 Fix "n.d." Mickaël Véril 2021-10-29 15:37:20 +0200
• d3e243daa0 Some fixes and update on data Mickaël Véril 2021-10-27 17:04:56 +0200
• bf7ccbddfe Fix the inversion of 3 and 4 ^1A^\prime of formamide Mickaël Véril 2021-03-29 17:11:11 +0200
• 2e3f1bbdf1 Update data except QUEST#2 Mickaël Véril 2021-03-29 16:33:35 +0200
• e0b3fd6eca Fix excel2 Mickaël Véril 2021-03-29 16:28:30 +0200
• a5124eec17 New xlsx wo QUEST#2 Mickaël Véril 2021-03-23 11:25:22 +0100
• 391206b876 deploy: b08795c66b scemama 2021-09-01 17:40:42 +0000
• b08795c66b Fix subtitle Mickaël Véril 2021-09-01 19:23:02 +0200
• 109a238e73 Fix subtitle Mickaël Véril 2021-09-01 19:23:02 +0200
• 3f833fc5a5 deploy: da587e6168 scemama 2021-03-29 16:12:46 +0000
• 8d6e67c69c Update known working versions Mickaël Véril 2021-03-29 09:30:11 +0200
• 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 +0100
• fd363c200a Change requirements to use >= Mickaël Véril 2021-03-22 14:27:23 +0100
• abb1c9ec46 Add requirements.txt Mickaël Véril 2021-03-16 18:57:08 +0100