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mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-12-25 13:53:48 +01:00
Commit Graph

266 Commits

Author SHA1 Message Date
67727dcab1 Fix triazine data for QUEST#3 main paper 2020-08-25 17:49:07 +02:00
62acffa870 New publis handling with sets which support multiple publications 2020-08-24 11:16:03 +02:00
5904358ecf Remove bad set 2020-08-17 14:27:02 +02:00
070e9a7a7d Fix missing QUEST#3 DOI 2020-08-07 11:49:05 +02:00
b1c5e04689 Fix QUEST#3 2020-08-06 18:42:59 +02:00
2bb908c042 Merge branch 'master' into specialTexCommandOption 2020-06-24 15:26:40 +02:00
8bc9712110 Fix initial state Tetrazine 2020-06-24 15:25:19 +02:00
b9400bae11 Carbon monoxide Denis fix 2020-06-24 15:17:18 +02:00
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
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
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
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
91be4457e2 Replace by the correct DOI for QUEST#4 2020-05-13 16:25:11 +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
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
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
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
9a0809606f Add data from table 1 2020-03-26 16:30:20 +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
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