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48afa4a343
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Fix cyanoacetylene
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2020-05-27 17:24:44 +02:00 |
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58a455cd78
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Fix Sigma initial states
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2020-05-27 10:00:13 +02:00 |
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9b57d18319
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Fix initial state
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2020-05-22 15:27:35 +02:00 |
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caf0ef124f
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Fix first symmetry alignment
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2020-03-27 14:35:01 +01:00 |
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24079012e8
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Delete active space data
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2020-03-20 10:28:33 +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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66e47a46ee
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Fix FC
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2020-03-15 17:49:22 +01:00 |
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fcf71efa1e
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Regenerate QUEST#1
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2020-03-10 18:31:13 +01:00 |
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f30d271ae7
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Regenerate QUEST#3
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2020-03-05 14:53:51 +01:00 |
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ff248558fb
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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0ecb6a26f6
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Merge branch 'TBE' into QUEST#3
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2020-02-28 16:10:26 +01:00 |
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0d2cf406e1
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Fix doublon
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2020-02-27 15:14:42 +01:00 |
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85d48a336e
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Fix infinity doublon
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2020-02-27 12:11:00 +01:00 |
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50c814b612
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Fix formaldehyde
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2020-02-20 11:03:14 +01:00 |
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c9bea63f51
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Replace formaldehyde
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2020-02-19 17:14:27 +01:00 |
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5fd4ad54c5
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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8065db3929
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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a9902def31
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Add last table
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2020-02-17 11:34:21 +01:00 |
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42d024d0e3
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Add cyanogen
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2020-02-17 11:34:20 +01:00 |
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5624a86b94
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Add cyanogen
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2020-02-17 11:34:20 +01:00 |
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84f8aa7797
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Add cyanoacetylene
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2020-02-17 11:34:20 +01:00 |
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ea1a3306ee
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Add DOI for TBE
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2020-02-17 11:34:19 +01:00 |
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d1d3661d48
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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85dac2e65e
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Fix TBE
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2020-02-17 11:31:07 +01:00 |
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b5fac54f04
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Add TBE
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2020-02-17 11:28:58 +01:00 |
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024b89a49c
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Add DOI
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2020-02-17 11:28:58 +01:00 |
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b3e470bbd8
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Fix aug
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2020-02-17 11:28:57 +01:00 |
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a21d98b0ea
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Add data for cyanogen
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2020-02-17 11:28:57 +01:00 |
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e86f954830
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Add data for cyanoacetylene for QUEST#3
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2020-02-17 11:28:57 +01:00 |
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daa62495fa
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Add geometry and DOI
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2020-02-15 17:43:30 +01:00 |
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cbb0a8e219
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Add missing files of QUEST#1
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2020-02-15 17:40:52 +01:00 |
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5392b9ee53
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Fix filenames in fluo
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2020-02-03 17:47:19 +01:00 |
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e759d88c77
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Fix CBS
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2020-02-03 15:51:17 +01:00 |
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f86ca7a42a
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Fix methods names
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2020-02-03 15:07:32 +01:00 |
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f66426453f
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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b875dae624
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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0131432b07
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Use ∞ symbol instead of latex
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2020-01-29 17:20:34 +01:00 |
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e4bc15babe
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Fix bad DOI
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2020-01-29 17:20:34 +01:00 |
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b62e1f1a72
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Fix infty not loadable with a rename
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2020-01-29 17:20:34 +01:00 |
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ceed877727
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Add information for missing table
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2020-01-29 17:20:34 +01:00 |
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a1fd68d63c
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Add missing table
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2020-01-29 17:20:34 +01:00 |
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a2f04156a3
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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f051f48b42
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Add geometry for new files
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2020-01-29 17:20:34 +01:00 |
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b50c16e001
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Replace CC3(FC) by CC3
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2020-01-29 17:20:34 +01:00 |
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b29ce581d2
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Add DOI to new datas
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2020-01-29 17:20:34 +01:00 |
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68eac5baf5
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Add Larger compounds table of supporting
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2020-01-29 17:20:34 +01:00 |
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0da83827b0
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Add thioformaldehyde CC3 supporting
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2020-01-29 17:20:34 +01:00 |
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81ad786acd
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Add Formaldehyde CC3 supporting
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2020-01-29 17:20:34 +01:00 |
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cc6f12852e
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Add acetylene CC3 supporting
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2020-01-29 17:20:34 +01:00 |
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705bc731bc
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Rename and fix TBE and TBE(FC)
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2020-01-29 17:20:34 +01:00 |
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