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mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-11-05 05:33:55 +01:00
Commit Graph

613 Commits

Author SHA1 Message Date
9e387e0415 Merge branch 'master' into specialTexCommandOption 2020-06-20 13:38:36 +02:00
0229201240 Simplify A_g A_u B_g and B_u 2020-06-20 13:37:53 +02:00
316ff217c2 Fix ethylene and pyrazine 2020-06-20 13:33:39 +02:00
acb110ba23 Fix benzene 2020-06-20 12:06:07 +02:00
6b9f6488f9 Add QUEST#5 reference 2020-06-15 17:33:41 +02:00
3ec9a2e6f4 Fix f value for dinitrogen 2020-06-15 17:00:23 +02:00
9148783e13 Add graphical abstract support 2020-06-15 16:13:23 +02:00
8820e46203 Delete unused sets 2020-06-15 11:14:26 +02:00
d8e8c2a2b3 Rewrite home 2020-06-12 12:14:41 +02:00
3093d9202e Add montain image as bigimg 2020-06-10 18:29:44 +02:00
f0673256b1 Add debug mode 2020-06-10 15:18:39 +02:00
b78e64bb95 Merge branch 'master' into QUEST4 2020-06-08 16:22:54 +02:00
3d26ffeba9 Fix initial state for hydrogen chloride 2020-06-05 16:12:09 +02:00
ce39913769 Fix initial states 2020-06-05 16:09:47 +02:00
497bffbad2 Improve multiplicity support and add suport for double 2020-06-01 14:06:42 +02:00
8bcc80aa48 Merge branch 'master' into QUEST4 2020-05-27 17:31:26 +02:00
0aa6067c64 Fix hydrogen chloride initial state 2020-05-27 17:31:06 +02:00
48afa4a343 Fix cyanoacetylene 2020-05-27 17:24:44 +02:00
58a455cd78 Fix Sigma initial states 2020-05-27 10:00:13 +02:00
a080913d85 Using cache for downloaded files 2020-05-27 09:35:50 +02:00
35fbb41638 Make the request one by one to avoid "net::ERR_INSUFFICIENT_RESOURCES" errors 2020-05-25 11:02:57 +02:00
5eb77d162d Merge branch 'master' into QUEST4 2020-05-22 15:29:57 +02:00
9b57d18319 Fix initial state 2020-05-22 15:27:35 +02:00
500429914e Support valdiation for form_dat 2020-05-19 10:30:28 +02:00
b205e180f8 Add more jQuery 2020-05-19 10:17:55 +02:00
5ceec2e6a5 Add border and margin to facilitate the reading of forms 2020-05-18 10:58:02 +02:00
91be4457e2 Replace by the correct DOI for QUEST#4 2020-05-13 16:25:11 +02:00
22bf71504e Delete the * symbol for PubliUI 2020-05-05 10:26:33 +02:00
95752b93c7 Merge branch 'QUEST4' into QUEST4-bad-DOI 2020-05-04 14:25:04 +02:00
5923781e6e Merge branch 'master' into QUEST4 2020-05-04 14:24:34 +02:00
974acae266 Use UTC for getIssuedDate(publi) 2020-05-04 14:11:36 +02:00
6d38d7be1f Create pubUtils.getIssuedDate(publi) tool to get the date of a publication object 2020-05-04 13:57:20 +02:00
68a732dd81 Add missing space before year 2020-05-01 15:39:43 +02:00
8a97821c8d Merge branch 'QUEST4' into QUEST4-bad-DOI 2020-04-30 20:33:07 +02:00
2f213fe691 Check if MathJax.typesetPromise exist before define it in the polyfill 2020-04-30 20:31:30 +02:00
3864ab2776 Add QUEST#4 data files 2020-04-30 15:20:39 +02:00
d8e4c209b3 Add QUEST#4 with a DOI from a random publication because the QUEST#4 DOI is not currently available 2020-04-30 15:19:56 +02:00
75c849cf98 Downgrade to MathJax 2.7 to fix the \ce problem and add MathJaxPolyfill.js to add the typesetPromise() function that is missing in the V2 API 2020-04-29 10:15:09 +02:00
d0bcfcc203 Revert "Add mathjax-config"
This reverts commit 736316e2e1.
2020-04-24 09:33:12 +02:00
736316e2e1 Add mathjax-config 2020-04-23 17:18:15 +02:00
ac95dbb6e8 Add MathJaxUtils class 2020-04-23 17:12:33 +02:00
b28a783e5d Fix generated files for QUEST#2 2020-04-09 15:08:49 +02:00
faef08c79f Remove unnescesary files 2020-04-08 15:30:13 +02:00
3d900e9fb3 Merge branch 'master' into QUEST2 2020-04-08 11:35:11 +02:00
e2485a833f Add %T1 filterParams 2020-04-08 11:34:52 +02:00
d50b3b5eca Add the best %T1 to TBE 2020-04-02 17:13:15 +02:00
29f4936345 Fix symmetry for the second excitation of TBE CBS of benzene 2020-03-31 14:31:19 +02:00
0dc9adaa76 Merge branch 'master' into QUEST2 2020-03-31 14:26:09 +02:00
a5886352fe Fix bug when excitation type is empty 2020-03-31 14:24:01 +02:00
cbe41a3cbd Merge branch 'master' into QUEST2 2020-03-30 16:37:34 +02:00
53abf1f278 Remove isCorrectedTBE function 2020-03-30 16:36:42 +02:00
6d117915f5 Remove T1>50 assetion for QUEST#2 2020-03-30 15:49:44 +02:00
cb70bcdc6b Add TBE 2020-03-28 16:13:00 +01:00
5db9a8d640 Use "double" prefix to prevent same file names for datafiles 2020-03-28 13:23:46 +01:00
14ed96134d Fix symmetry alignment for QUEST#2 2020-03-27 14:44:57 +01:00
1fe9da3287 Merge branch 'master' into QUEST2 2020-03-27 14:35:50 +01:00
caf0ef124f Fix first symmetry alignment 2020-03-27 14:35:01 +01:00
789adff686 Fix carbon_dimer symmetry 2020-03-27 14:13:27 +01:00
a4c146ba1d Delete unnecessary files 2020-03-27 14:11:15 +01:00
d2da9e987b Fix carbon dimer symmetry 2020-03-27 11:46:56 +01:00
76d4582c83 Fix doublon assertion 2020-03-26 17:58:27 +01:00
f1f980be31 Merge branch 'master' into QUEST2 2020-03-26 17:54:07 +01:00
79b66f33cd Fix doublon assertion 2020-03-26 17:53:42 +01:00
33cd88d8bb Merge branch 'master' into QUEST2 2020-03-26 17:45:14 +01:00
52f536a654 Fix RequestHeader 2020-03-26 17:44:44 +01:00
9a0809606f Add data from table 1 2020-03-26 16:30:20 +01:00
b171001b38 Remove cache for text files 2020-03-20 11:10:56 +01:00
b9919ef184 Change excitationTypes names 2020-03-20 11:09:48 +01:00
110d8e9819 Add CBS to experimental 2020-03-20 10:32:24 +01:00
24079012e8 Delete active space data 2020-03-20 10:28:33 +01:00
c771568bb5 Merge branch 'QUEST#1' into QUEST#3 2020-03-19 18:07:02 +01:00
9bce112b27 Better design for publication page 2020-03-19 18:06:29 +01:00
c78ec858fb Merge branch 'QUEST#1' into QUEST#3 2020-03-19 16:27:17 +01:00
9d3c413239 Fix double are unsafe 2020-03-19 16:26:51 +01:00
655a30d78f Add "The Quest for Highly Accurate Excitation Energies: A Computational Perspective review" to other publications 2020-03-18 15:34:59 +01:00
78aea33f81 Merge branch 'QUEST#1' into QUEST#3 2020-03-18 15:02:20 +01:00
ac60bbb978 Merge branch 'publis.yaml' into TBE 2020-03-18 14:54:37 +01:00
b6d180c933 Delete old file format 2020-03-18 14:27:47 +01:00
cc9e167726 Fix formaldehyde STEOM bad method 2020-03-17 19:00:44 +01:00
622a7dae6a Fix T1 and oscilatorForces inversion 2020-03-17 14:00:31 +01:00
97f25af23d Add unsafe assertion 2020-03-17 13:48:42 +01:00
66e47a46ee Fix FC 2020-03-15 17:49:22 +01:00
df21468622 Add assertions 2020-03-14 17:29:47 +01:00
91781b1c1d Fix number for nitrosomethane CC3 6-31+G(d) 2020-03-11 10:52:16 +01:00
14446864b5 Fix unsafe 2020-03-11 10:34:19 +01:00
fc44b1e391 Fix QUEST#1 2020-03-10 19:34:50 +01:00
fcf71efa1e Regenerate QUEST#1 2020-03-10 18:31:13 +01:00
fdc573d9cf Merge branch 'TBE' into QUEST#3 2020-03-08 16:17:29 +01:00
828fa5cf6c Add description class and simplify lables 2020-03-08 16:17:04 +01:00
477be17a5a Fix empty files 2020-03-07 13:12:54 +01:00
8cd5a984c4 Fix QUEST#3 2020-03-07 12:45:37 +01:00
f30d271ae7 Regenerate QUEST#3 2020-03-05 14:53:51 +01:00
ff248558fb Fix \prime 2020-02-28 18:25:51 +01:00
0ecb6a26f6 Merge branch 'TBE' into QUEST#3 2020-02-28 16:10:26 +01:00
e10ade912a fix file name for streptocyanine-C1 2020-02-28 16:04:44 +01:00
0d2cf406e1 Fix doublon 2020-02-27 15:14:42 +01:00
2f3fd46f46 Fix carbon monxide data 2020-02-27 13:11:58 +01:00
e5c5f120e0 Fix doublon 2020-02-27 12:43:18 +01:00
85d48a336e Fix infinity doublon 2020-02-27 12:11:00 +01:00
559c8d5eb7 Fix bug in nitrosomethane 2020-02-27 10:28:08 +01:00
a986d9ae72 Fix some files 2020-02-27 10:23:37 +01:00
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