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03577a4636
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Merge branch 'master' into ADC
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2020-09-15 12:52:30 +02:00 |
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c89e865597
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Improvement in ADC25generator
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2020-09-15 12:51:47 +02:00 |
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b250227f47
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Use os.makedirs instead of mkdir
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2020-09-15 12:51:07 +02:00 |
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c6e6f308d0
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Put geom in QUEST#3 ADC
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2020-09-15 10:31:34 +02:00 |
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45cbad1cc6
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Merge branch 'master' into ADC
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2020-09-15 09:53:53 +02:00 |
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093dc61602
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Update README
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2020-09-15 09:39:23 +02:00 |
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5193c5630f
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Fix QUEST#5 data and update it
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2020-09-15 09:32:55 +02:00 |
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252884d995
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Fix missing geometry
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2020-09-14 17:24:34 +02:00 |
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7790367ee0
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DOI not yet replaced by article in ADC files
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2020-09-14 16:32:11 +02:00 |
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b318108be7
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Merge branch 'master' into ADC
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2020-09-14 16:15:13 +02:00 |
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d0870a2d0f
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Support scrollIntoView for sets
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2020-09-14 16:01:29 +02:00 |
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f15140bc64
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Change QUEST link to absolute in subsets
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2020-09-14 15:16:24 +02:00 |
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8e7ae39bee
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Merge branch 'master' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ
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2020-09-14 11:31:04 +02:00 |
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93a38ff9ce
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Add ADC(2.5) files
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2020-09-14 11:30:57 +02:00 |
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34b5a57f9e
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Add the ADC25generator python tool
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2020-09-14 11:29:13 +02:00 |
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0a8cf70a73
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subsets
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2020-09-14 09:57:04 +02:00 |
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3fa6aa7496
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typo
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2020-09-13 20:40:57 +02:00 |
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a9bba27fcb
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Merge branch 'master' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ
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2020-09-13 18:23:37 +02:00 |
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8dcab0b702
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Fix number for Nitrosomethane ADC(2)/aug-cc-pVTZ
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2020-09-13 18:16:15 +02:00 |
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9ca621dd99
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logos
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2020-09-12 22:27:15 +02:00 |
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853b045431
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logo
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2020-09-12 16:44:58 +02:00 |
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0cbee99f78
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Add the ability to read a data file from the python library
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2020-09-11 17:26:49 +02:00 |
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3f9f7108b3
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hasType test is now irrelevent
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2020-09-11 16:55:53 +02:00 |
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1ac008613c
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subsets
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2020-09-11 14:33:45 +02:00 |
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707606956d
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square logo
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2020-09-11 14:29:42 +02:00 |
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a97dd01841
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justidy
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2020-09-11 14:15:15 +02:00 |
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7ad27a0a26
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justify index
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2020-09-11 14:09:44 +02:00 |
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283f231309
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/mveril/exdatabaseLCPQ
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2020-09-11 13:57:44 +02:00 |
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43431ed077
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OK with front page
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2020-09-11 13:57:40 +02:00 |
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996f89518d
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Fix typo and add inline code to README
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2020-09-11 12:47:11 +02:00 |
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892ea5f071
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Fix repo relative url
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2020-09-11 12:03:34 +02:00 |
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bc3a86bde6
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Add README.md
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2020-09-11 11:58:33 +02:00 |
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169f385c42
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Remove unused variable
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2020-09-11 10:57:05 +02:00 |
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363547714e
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Fix CNRS.png is not an executable
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2020-09-11 10:18:16 +02:00 |
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8a85918f96
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Merge branch 'master' into ADC
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2020-09-11 09:33:24 +02:00 |
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6363b8d79f
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Merge branch 'master' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ
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2020-09-11 09:32:18 +02:00 |
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942fba5f7f
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Performance improvement; don't use the data files for the generation but only the YAML of the publications page
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2020-09-11 09:32:13 +02:00 |
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2557500544
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minor corrections
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2020-09-10 21:38:14 +02:00 |
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ea0db71417
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Change QUEST home image
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2020-09-10 19:31:39 +02:00 |
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bdb5d86215
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Merge branch 'master' into QUEST5
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2020-09-10 17:37:57 +02:00 |
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78c8972efc
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Merge branch 'master' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ
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2020-09-10 17:18:27 +02:00 |
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e2cced51ee
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Add \ce for atoms
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2020-09-10 17:18:21 +02:00 |
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52b84489c3
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/mveril/exdatabaseLCPQ
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2020-09-10 17:15:56 +02:00 |
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43629ee74e
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pdf to png
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2020-09-10 17:15:48 +02:00 |
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00ef5d82ad
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Add tex shortcode for all molecule formulas
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2020-09-10 17:15:35 +02:00 |
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81e33a9d5e
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Use doi.org for each publication url in subsets
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2020-09-10 17:03:02 +02:00 |
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fee079153b
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Use standard LaTeX in subsets
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2020-09-10 16:54:36 +02:00 |
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c08b57cbaa
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Using tex shortcode from https://latkin.org/blog/2016/08/07/better-tex-math-typesetting-in-hugo
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2020-09-10 16:51:26 +02:00 |
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85d8ee87c0
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Update QUEST#5 data from Denis XLSX
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2020-09-10 16:07:35 +02:00 |
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3630dd8ec9
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Fix bug when %T1 or f exist and not energy value
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2020-09-10 16:06:34 +02:00 |
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