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mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-12-25 05:43:46 +01:00
Commit Graph

462 Commits

Author SHA1 Message Date
ad2238c664 Fix streptocyanine-C1 2020-02-26 16:23:59 +01:00
e66c042d2a Optional separator between method and basis in toString() method 2020-02-20 11:54:50 +01:00
50c814b612 Fix formaldehyde 2020-02-20 11:03:14 +01:00
c9bea63f51 Replace formaldehyde 2020-02-19 17:14:27 +01:00
5fd4ad54c5 Use LaTeX standard for \prime 2020-02-17 13:25:15 +01:00
1c680f819c Fix state number 2020-02-17 12:42:25 +01:00
64b78ec3bf Add acetone exp missing file 2020-02-17 11:35:26 +01:00
8065db3929 Add missing data for new files 2020-02-17 11:34:21 +01:00
a9902def31 Add last table 2020-02-17 11:34:21 +01:00
051f014a3c Add diacetylene 2020-02-17 11:34:20 +01:00
42d024d0e3 Add cyanogen 2020-02-17 11:34:20 +01:00
e7847ae678 Add cyanoacetylene 2020-02-17 11:34:20 +01:00
718ac47690 Add triazine 2020-02-17 11:34:20 +01:00
066eb34e1e Add pyrimidine 2020-02-17 11:34:20 +01:00
3d736c5352 Add pyridine 2020-02-17 11:34:20 +01:00
2d6f7603d0 Add pyridazine 2020-02-17 11:34:20 +01:00
c0f03027ff Add tertrazine 2020-02-17 11:34:20 +01:00
76ed53514e Add pyrazine 2020-02-17 11:34:20 +01:00
65eb9e5eda Add benzene 2020-02-17 11:34:20 +01:00
bb140e80c4 Add thiophene 2020-02-17 11:34:20 +01:00
16b28c4abb Add imidazole 2020-02-17 11:34:20 +01:00
596494dfa2 Add cyclopentadiene 2020-02-17 11:34:20 +01:00
24a315c95d Add pyrrole 2020-02-17 11:34:20 +01:00
1a7bbb4a0a Add furan 2020-02-17 11:34:20 +01:00
c6752cc399 Add thiopropynal 2020-02-17 11:34:20 +01:00
3e9b1f2409 Add thioacetone 2020-02-17 11:34:20 +01:00
3ace3f5b57 Add propynal 2020-02-17 11:34:20 +01:00
0dd4192e5e Add isobutene 2020-02-17 11:34:20 +01:00
5fbeceb3b2 Add cyanoformaldehyde 2020-02-17 11:34:20 +01:00
d3097ba650 Add acetone 2020-02-17 11:34:20 +01:00
3a30dff715 Add glyoxal 2020-02-17 11:34:20 +01:00
85db06c9eb Add butadiene 2020-02-17 11:34:20 +01:00
dc8b8aa11d Add acrolein 2020-02-17 11:34:20 +01:00
a879e34ad9 Add methylenecyclopropene 2020-02-17 11:34:20 +01:00
88c248a9b1 Add cyclopropenethione 2020-02-17 11:34:20 +01:00
0df188795f Add cyclopropenone 2020-02-17 11:34:20 +01:00
f72d203ad0 Add diacetylene 2020-02-17 11:34:20 +01:00
5624a86b94 Add cyanogen 2020-02-17 11:34:20 +01:00
84f8aa7797 Add cyanoacetylene 2020-02-17 11:34:20 +01:00
3392541191 Fix diacetylene 2020-02-17 11:34:19 +01:00
ea1a3306ee Add DOI for TBE 2020-02-17 11:34:19 +01:00
d1d3661d48 Add missing geometry and code 2020-02-17 11:34:19 +01:00
84d4baa59b Continue to fix experimental 2020-02-17 11:31:07 +01:00
85dac2e65e Fix TBE 2020-02-17 11:31:07 +01:00
fb4d176a99 Delete other Litt 2020-02-17 11:28:58 +01:00
cd67226101 Fix experimental 2020-02-17 11:28:58 +01:00
b5fac54f04 Add TBE 2020-02-17 11:28:58 +01:00
024b89a49c Add DOI 2020-02-17 11:28:58 +01:00
720948ecab Add triazine 2020-02-17 11:28:58 +01:00
a28572d050 Pyrimidine 2020-02-17 11:28:58 +01:00
c7aac0a186 Remove data.tex file 2020-02-17 11:28:58 +01:00
96428182c3 Add pyridine 2020-02-17 11:28:58 +01:00
4337428fe4 Add pyridazine 2020-02-17 11:28:58 +01:00
c61f6cd36c Add tetrazine 2020-02-17 11:28:58 +01:00
24940ab48d Add pyrazine 2020-02-17 11:28:58 +01:00
857221f092 Add benzene 2020-02-17 11:28:58 +01:00
00ee3f188b Add thiophene 2020-02-17 11:28:58 +01:00
2270f28a7f Add imidazole 2020-02-17 11:28:58 +01:00
aba42a9751 Add cyclopentadiene 2020-02-17 11:28:58 +01:00
3fb8361014 Add pyrrole 2020-02-17 11:28:58 +01:00
7dee833add Add furan 2020-02-17 11:28:58 +01:00
07c8e3a0ab Add thiopropynal 2020-02-17 11:28:58 +01:00
11d2354d74 Add propynal 2020-02-17 11:28:58 +01:00
28ecf30f80 Add isobutene 2020-02-17 11:28:57 +01:00
542e3de106 Add cyanoformaldehyde 2020-02-17 11:28:57 +01:00
f7680ae56a Add acetone 2020-02-17 11:28:57 +01:00
f014a97046 Add glyoxal 2020-02-17 11:28:57 +01:00
c897c5e1ff Butadiene 2020-02-17 11:28:57 +01:00
e47ac623d4 Add acrolein 2020-02-17 11:28:57 +01:00
3375225cdb Add methylenecyclopropene 2020-02-17 11:28:57 +01:00
69a4e66dd2 Add cyclopropenethione 2020-02-17 11:28:57 +01:00
c1f44caa40 Add cyclopropenone 2020-02-17 11:28:57 +01:00
057ae066f7 Add diacetylene 2020-02-17 11:28:57 +01:00
b3e470bbd8 Fix aug 2020-02-17 11:28:57 +01:00
a21d98b0ea Add data for cyanogen 2020-02-17 11:28:57 +01:00
e86f954830 Add data for cyanoacetylene for QUEST#3 2020-02-17 11:28:57 +01:00
1a398bbb50 Delete file on bad branch 2020-02-17 10:51:58 +01:00
0aa6f80735 Add missing informations 2020-02-17 10:12:42 +01:00
6d5c17b92b Add water TBE/CBS 2020-02-17 10:09:55 +01:00
fe6cf76a69 Add streptocyanine-c1 2020-02-17 09:53:48 +01:00
92673ad0e0 Add emoji css class 2020-02-16 18:09:37 +01:00
d25239ba95 Add missing data due to subtablesindex bug 2020-02-16 17:57:44 +01:00
daa62495fa Add geometry and DOI 2020-02-15 17:43:30 +01:00
cbb0a8e219 Add missing files of QUEST#1 2020-02-15 17:40:52 +01:00
42a9a35675 trigger("change") only at the end and if realy change to optimize performances 2020-02-15 11:24:24 +01:00
5fb1b4252c Use JSYAML and apply changes 2020-02-15 11:19:36 +01:00
e7506344c4 Add yaml 2020-02-14 16:30:30 +01:00
e75a1de542 Delete usage of zpe folder 2020-02-10 16:29:19 +01:00
519b237d8d Fix experimental typo 2020-02-10 12:01:31 +01:00
9ee1565bde Put creation of publication UI in createPubliUI 2020-02-08 14:48:40 +01:00
ac0c970962 Fix publications page 2020-02-07 10:16:39 +01:00
bb475a0ec3 Add reference for QUEST#3 2020-02-04 12:11:08 +01:00
8f61c51138 Delete value propeery of stringNumber 2020-02-04 09:34:27 +01:00
3c2da95c84 rename Float to Number in JavaScript 2020-02-04 09:14:57 +01:00
5392b9ee53 Fix filenames in fluo 2020-02-03 17:47:19 +01:00
5e5d98fb8d Fix filenames for STEOM-CCSD 2020-02-03 17:44:40 +01:00
c878b587f2 Fix filenames for CCSDR(3) 2020-02-03 17:43:00 +01:00
0e82af227e Fix CBS filenames 2020-02-03 17:41:37 +01:00
e759d88c77 Fix CBS 2020-02-03 15:51:17 +01:00
f86ca7a42a Fix methods names 2020-02-03 15:07:32 +01:00
0986785a0f Adjust sticky table head relative to navigation bar 2020-02-03 14:26:11 +01:00
3cc3911821 Sticky head for table 2020-02-03 13:27:32 +01:00
f66426453f Fix significative figures in datafiles 2020-02-03 13:26:26 +01:00
01830ae23d Use Number.IsNaN instead of isNaN 2020-02-02 15:35:21 +01:00
873d88763f Fix bug in data 2020-02-01 17:50:45 +01:00
8d47040564 Add optional printNaN to stringFloat 2020-02-01 17:32:06 +01:00
02dfbe9a9e fix bug in floatUtils 2020-02-01 17:27:22 +01:00
554d3ee84c Missing ! operator 2020-02-01 17:19:40 +01:00
89007ebdd6 Use the new floatUtils 2020-02-01 17:14:52 +01:00
b46acd130b Combine checkFloat and StringFloat files to floatUtils.js 2020-02-01 17:13:33 +01:00
74509f97ee Add stringFLoat class in js that help to keep significant figure 2020-02-01 16:58:43 +01:00
ea6c37d4f9 Add function to check if string can be converted float in JavaScript 2020-02-01 16:54:00 +01:00
6c5f082e3b selectSelectAll is now a separate function 2020-01-29 17:41:38 +01:00
47487c4d61 Modernize option selection 2020-01-29 17:36:50 +01:00
69c4afa43c Add enumUtils to handle enum getFlags(value) and All corectly 2020-01-29 17:20:35 +01:00
bc297ae40d trigger("change") for selectSelectAll 2020-01-29 17:20:35 +01:00
976a56adac Use same class for Absorption and fluorescence files and improve select 2020-01-29 17:20:35 +01:00
7d5d38a1e9 Fallback when backdrop-filter or -webkit-backdrop-filter not exist like in FireFox 2020-01-29 17:20:35 +01:00
3d92e97ffb Add comment for color-emoji 2020-01-29 17:20:35 +01:00
71ec661006 Center all numeric cell in table 2020-01-29 17:20:35 +01:00
809271da76 Fix carbon monoxide typo 2020-01-29 17:20:34 +01:00
feea071247 Fix excitations for carbon monoxide 2020-01-29 17:20:34 +01:00
43024a98a3 Fix excitations for diazomethane 2020-01-29 17:20:34 +01:00
ed38488c26 Fix excitation for nitrosomethane 2020-01-29 17:20:34 +01:00
d60a5fb2fc Fix excitation for ketene 2020-01-29 17:20:34 +01:00
fbbe3ac76b Fix excitation for formamide 2020-01-29 17:20:34 +01:00
9a0eb03769 Fix excitation for formaldehyde 2020-01-29 17:20:34 +01:00
5c36e484e8 Set unsafe for the 2 first A' of formamide 2020-01-29 17:20:34 +01:00
11fdb62376 Set unsafe for n,n->π*,π* 2020-01-29 17:20:34 +01:00
71aa05ac2b Fix excited state for ammonia 2020-01-29 17:20:34 +01:00
b875dae624 Fix missing code 2020-01-29 17:20:34 +01:00
8cb95c952b Copy excitationType from TBE 2020-01-29 17:20:34 +01:00
10a6482502 Fix parsing problem for single 2020-01-29 17:20:34 +01:00
88acab0c32 Fix transition for water 2020-01-29 17:20:34 +01:00
b9110a694c Fix transition for thioformaldehyde 2020-01-29 17:20:34 +01:00
97b575d1bb Fix transition for formaldehyde 2020-01-29 17:20:34 +01:00
506d6db60e Fix transition for diazomethane 2020-01-29 17:20:34 +01:00
ddf5d97e2c Fix transition for ammonia 2020-01-29 17:20:34 +01:00
0131432b07 Use ∞ symbol instead of latex 2020-01-29 17:20:34 +01:00
bd6dd042bd Fix isCorrected 2020-01-29 17:20:34 +01:00
8da9f6fff4 Update sets names 2020-01-29 17:20:34 +01:00
084fab59ff Fix typo Singlet 2020-01-29 17:20:34 +01:00
3b2776041d Delete not wanted file 2020-01-29 17:20:34 +01:00
e4bc15babe Fix bad DOI 2020-01-29 17:20:34 +01:00
b62e1f1a72 Fix infty not loadable with a rename 2020-01-29 17:20:34 +01:00
ceed877727 Add information for missing table 2020-01-29 17:20:34 +01:00
a1fd68d63c Add missing table 2020-01-29 17:20:34 +01:00
a2f04156a3 Add code for new CC3 files 2020-01-29 17:20:34 +01:00
f051f48b42 Add geometry for new files 2020-01-29 17:20:34 +01:00
b50c16e001 Replace CC3(FC) by CC3 2020-01-29 17:20:34 +01:00
2d91d4d32d Fix warning color emoji on macOS 2020-01-29 17:20:34 +01:00
5a61b3fc92 Fix nestedCheckbox parent behaviour 2020-01-29 17:20:34 +01:00
abae66d2b3 Fix publication not shown in select when it's not in sets 2020-01-29 17:20:34 +01:00
0d719fd918 Fix double flag not set 2020-01-29 17:20:34 +01:00
94cb411297 Fix supporting information 2020-01-29 17:20:34 +01:00
b29ce581d2 Add DOI to new datas 2020-01-29 17:20:34 +01:00
f60e0ffa91 Add support for Supporting info (SI) 2020-01-29 17:20:34 +01:00
68eac5baf5 Add Larger compounds table of supporting 2020-01-29 17:20:34 +01:00
0da83827b0 Add thioformaldehyde CC3 supporting 2020-01-29 17:20:34 +01:00
46a96c3329 Add Methanimine CC3 supporting 2020-01-29 17:20:34 +01:00
81ad786acd Add Formaldehyde CC3 supporting 2020-01-29 17:20:34 +01:00
ea27a61da6 Add Ethylene CC3 supporting 2020-01-29 17:20:34 +01:00
cc6f12852e Add acetylene CC3 supporting 2020-01-29 17:20:34 +01:00
9b9fa79d88 Add Carbon monoxide CC3 supporting 2020-01-29 17:20:34 +01:00
1e6248812c Fix Full FC in basis 2020-01-29 17:20:34 +01:00
7349f30380 Add Dinitrogen CC3 supporting 2020-01-29 17:20:34 +01:00
42f2712f67 Add hydrogen chloride CC3 supporting 2020-01-29 17:20:34 +01:00
8034c12340 Add ammonia CC3 supporting 2020-01-29 17:20:34 +01:00
ba3cc8382b Add hydrogen sulfide CC3 supporting 2020-01-29 17:20:34 +01:00
a8b14bba72 Add water CC3 supporting 2020-01-29 17:20:34 +01:00
1e143b9d16 Add singulet and triplet eexcitation type 2020-01-29 17:20:34 +01:00
705bc731bc Rename and fix TBE and TBE(FC) 2020-01-29 17:20:34 +01:00
91d7ed72f5 Set other value to max bit shifts 1 << 31 2020-01-29 17:20:34 +01:00
387981c6a8 Fix parsing others 2020-01-29 17:20:34 +01:00
05e39690e0 Fix π->π* parsing 2020-01-29 17:20:34 +01:00
c38cf55e79 Add others excitationType 2020-01-29 17:20:34 +01:00
f1d24fb938 Fix excitation type parsing 2020-01-29 17:20:34 +01:00
7d2f503388 Add basis for TBE 2020-01-29 17:20:34 +01:00
01492d7c52 Add padding for label 2020-01-29 17:20:34 +01:00
1d59151f3e Fix excitationFilter presentation 2020-01-29 17:20:34 +01:00
134dc0c6e4 Fix bad word 2020-01-29 17:20:34 +01:00
f817d7329f Fix parenthesis 2020-01-29 17:20:34 +01:00
ef60928c4f Fix value instead of Value 2020-01-29 17:20:34 +01:00
c72176d808 Add nestedCheckboxes eventHandler 2020-01-29 17:20:34 +01:00
74dce2168f Use << (left shift) operator instead of fixed value to set excitationType 2020-01-29 17:20:34 +01:00
2434659c95 FIx bugs and add newtable 2020-01-29 17:20:34 +01:00
06ac6fdcfe Add adtitional function to DOICache 2020-01-29 17:20:34 +01:00
3a72177129 Add code 2020-01-29 17:20:34 +01:00
8caf38678a Add geometry 2020-01-29 17:20:34 +01:00
fc6b536cab Replace method with expermental when is needed 2020-01-29 17:20:34 +01:00
e3fc183184 Add DOI 2020-01-29 17:20:34 +01:00
3c54772499 Rename exp 2020-01-29 17:20:34 +01:00
288a0a8650 Delete all Th and Theo 2020-01-29 17:20:34 +01:00
a650004aa9 Add TBE 2020-01-29 17:20:34 +01:00
575cb8d08c Add first vertical table 2020-01-29 17:20:34 +01:00
ae5b602ed6 Add thioformaldehyde 2020-01-29 17:20:34 +01:00
8be807fbd5 Add methanimine 2020-01-29 17:20:34 +01:00
ed13c31f36 Add formaldehyde 2020-01-29 17:20:34 +01:00
289853ddfb Add ethylene 2020-01-29 17:20:34 +01:00
e5a47f7ed7 Add acetylene 2020-01-29 17:20:34 +01:00