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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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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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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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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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52d334e367
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Fix isUnsafe
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2020-08-06 18:24:42 +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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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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