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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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e21750c8b0
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Remove IsSupporting
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2020-09-04 14:23:54 +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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52d334e367
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Fix isUnsafe
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2020-08-06 18:24:42 +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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81ff09e221
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Add double TBE example to documentation
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2020-04-01 13:03:59 +02:00 |
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6d5bbc47d4
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Add tex example for QUEST#2
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2020-03-27 14:45:11 +01:00 |
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78aea33f81
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Merge branch 'QUEST#1' into QUEST#3
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2020-03-18 15:02:20 +01:00 |
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0b121ee99c
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Fix examples
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2020-03-10 14:21:21 +01:00 |
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b9822026c4
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Fix streptocyanine-Ci in example
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2020-03-09 14:50:50 +01:00 |
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4ca9f30fd4
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Add FCI2-Si example
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2020-02-29 15:39:19 +01:00 |
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12bbe7df75
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Fix carbon monoxide
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2020-02-27 13:01:01 +01:00 |
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75458eca9a
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Fix some things in the dafafileBuilder.md documentation file
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2020-02-27 10:03:17 +01:00 |
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93a2cffc5a
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Complete datafileBuilder.md docmentation file
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2020-02-25 15:38:26 +01:00 |
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59fe15b56f
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Add documentation for datafileBuilder.md
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2020-02-24 15:03:59 +01:00 |
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65519a92b9
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Add example from FCI-SI
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2020-02-19 17:13:04 +01:00 |
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83b4bb3c7f
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Update TBE example
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2020-01-29 17:20:34 +01:00 |
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fb9ff127cf
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delete emph for example 1
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2020-01-29 17:20:34 +01:00 |
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137ecfcafa
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Change example
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2020-01-29 17:20:34 +01:00 |
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fa61ecfb51
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Add excitation type commands in tex
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2020-01-29 17:20:34 +01:00 |
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67d5f96b96
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A lot of fixes
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2020-01-29 17:20:34 +01:00 |
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4448d8d9db
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Fix missing
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2020-01-29 17:20:34 +01:00 |
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abed4bfeaa
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Add tbe in doc
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2020-01-29 17:20:34 +01:00 |
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92da17ea23
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Support molecule on first column instead of on first line on tex (see example2.tex)
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2019-11-19 13:52:53 +01:00 |
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10ca75a0f0
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Creae datafileBuilder and other python lib to manipulate datafile
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2019-11-12 14:36:23 +01:00 |
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