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f7c410a5f4
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Fix CCSDT-3 and EOM-MP2 for QUEST#5
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2020-11-09 16:40:05 +01:00 |
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bb0aa13dbf
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Fix data for new methods
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2020-11-09 10:53:26 +01:00 |
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6c2725544f
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Update QUEST#5 LaTeX input
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2020-11-04 15:34:00 +01:00 |
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4ab3c1178b
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Merge branch 'master' into newDataOldQuest
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2020-10-27 15:15:50 +01:00 |
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564fec1398
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Fix initial state for octatetraene
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2020-10-27 09:06:04 +01:00 |
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6647785d34
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Denis new data
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2020-10-24 17:29:27 +02:00 |
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39b4f085a7
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Fix difluorodiazieine
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2020-10-06 13:11:19 +02:00 |
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55a9fcea1e
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Fix format
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2020-10-06 09:29:19 +02:00 |
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b7d56c2df1
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Add new data from XLS file
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2020-10-05 17:30:21 +02:00 |
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7762ec50ff
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Fix typo in Carbon monoxide
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2020-09-22 11:54:44 +02:00 |
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f09ee7c0e0
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Fix carbon monoxide name
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2020-09-22 10:40:56 +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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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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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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f8223b1ea2
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Add new Data from Denis in fromXLSToLaTeX.tex
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2020-09-10 15:15:19 +02:00 |
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1102cc1b89
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Merge branch 'master' into QUEST5
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2020-09-09 17:59:26 +02:00 |
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a2ca59853e
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Merge branch 'master' into ADC
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2020-09-09 13:39:41 +02:00 |
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ced02eba06
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Replace CC3(FC) by CC3 and delete doublons
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2020-09-09 11:36:10 +02:00 |
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802e839829
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Change exFCI to FCI
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2020-09-09 10:00:19 +02:00 |
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925f6a5e80
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Merge branch 'master' into ADC
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2020-08-26 15:14:13 +02:00 |
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69206390c4
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Merge branch 'master' into QUEST5
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2020-08-26 13:58:34 +02:00 |
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72c81981e8
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Fix f of diazomethane 1 ^1B_1 (thanks Denis)
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2020-08-26 12:55:05 +02:00 |
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019e590c14
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Fix triazine data for QUEST#3 ADC
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2020-08-25 18:01:47 +02:00 |
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7a53a8a151
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Merge branch 'master' into ADC
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2020-08-25 17:51:08 +02:00 |
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3749efcdb0
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Fix FCI2-SI example
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2020-08-25 17:09:10 +02:00 |
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93a5b28265
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Add FCI2-TBE example
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2020-08-25 17:08:52 +02:00 |
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f5ecda8d98
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Fix QUEST#5 data
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2020-08-13 11:00:49 +02:00 |
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e16777a37b
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Merge branch 'master' into QUEST5
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2020-08-06 18:58:00 +02:00 |
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c38663815c
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Fix ADC
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2020-08-06 18:45:26 +02:00 |
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24a91848ce
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Merge branch 'master' into ADC
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2020-08-06 18:43:34 +02:00 |
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52d334e367
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Fix isUnsafe
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2020-08-06 18:24:42 +02:00 |
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448bfca51b
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Fix fluorescence of QUEST#3 addon
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2020-08-05 19:04:20 +02:00 |
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29b8c0c318
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Fix states with addition of $$
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2020-08-02 17:02:29 +02:00 |
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44067faff4
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Add example for fromXLSToLaTex format
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2020-07-23 15:32:17 +02:00 |
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2204183b66
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Add ADC to examples
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2020-06-26 18:35:03 +02:00 |
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d165827036
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Simplify \Fl
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2020-06-26 18:34:17 +02:00 |
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6f15d73054
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replace firstState by initialState
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2020-06-25 16:46:33 +02:00 |
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615b0a7025
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Update documentation examples with LaTeX options
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2020-06-24 14:50:55 +02:00 |
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0229201240
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Simplify A_g A_u B_g and B_u
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2020-06-20 13:37:53 +02:00 |
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3ec9a2e6f4
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Fix f value for dinitrogen
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2020-06-15 17:00:23 +02:00 |
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1ff225e859
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Add examples from QUEST#4
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2020-04-30 15:38:30 +02:00 |
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79e1d008c0
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Move examples files to a new folder
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2020-04-30 15:31:54 +02:00 |
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