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83a29add4c
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Add thioformaldehyde data
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2019-11-18 11:47:07 +01:00 |
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b8a22cd504
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Add methanimine data
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2019-11-18 10:42:51 +01:00 |
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86ba8c5872
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Delete inexisting fluorescence and zpe for water
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2019-11-18 10:17:55 +01:00 |
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332d73a3c0
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Delete not used data files
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2019-11-17 17:46:19 +01:00 |
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021411bb40
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Fix # Number Spin Symm comment
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2019-11-17 17:43:01 +01:00 |
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11e9cbe38c
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Add fluorescence data for formaldehyde
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2019-11-17 16:36:36 +01:00 |
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ff5aa637e2
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Add formaldehyde absorption data
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2019-11-17 16:25:02 +01:00 |
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c69cac1b61
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Add missing coode for ethylene
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2019-11-17 14:49:11 +01:00 |
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98f751b430
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Add ethylene data
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2019-11-17 14:26:54 +01:00 |
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07ae4c67e2
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Add acetylene files
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2019-11-17 14:25:25 +01:00 |
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e23b1c375c
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Add data for carbon monoxide
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2019-11-12 20:07:36 +01:00 |
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8c4106582f
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Add missing metadatas for dinitrogen
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2019-11-12 19:25:21 +01:00 |
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89ff3a8bd8
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Delete Th
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2019-11-12 19:21:19 +01:00 |
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edb4bca3dd
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keep only one exp
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2019-11-12 19:20:59 +01:00 |
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5c92e5d30b
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Add dinitrogen absorbtion
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2019-11-12 15:21:50 +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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f5536eaad5
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Add data for hydrogen chloride absorption
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2019-10-07 18:23:02 +02:00 |
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2a261ad978
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Add ammonia abs data
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2019-10-07 17:51:12 +02:00 |
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e44bb822fd
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Add hydrogen sulfide absorption files
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2019-09-30 18:26:32 +02:00 |
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b84050615d
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Add aug-cc-pVQZ for water
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2019-09-30 18:13:12 +02:00 |
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9c5b707cd3
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Fix CCSDTQP
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2019-09-28 13:53:33 +02:00 |
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cb40841392
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Fix spaces and Cie on Water exp
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2019-09-27 20:18:32 +02:00 |
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efbe651907
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Adapt files to the new format
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2019-09-27 15:33:55 +02:00 |
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cb6f790e5d
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Rename and and fix comment
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2019-09-27 15:33:55 +02:00 |
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cff3f653c7
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Use a new format to separate data
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2019-09-26 09:32:03 +02:00 |
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5746cec86a
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Add experimental datas
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2019-09-19 20:34:58 +02:00 |
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74e2936f61
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Apply titou format
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2019-09-19 18:48:14 +02:00 |
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50bb65cbe8
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Update format
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2019-09-17 17:19:00 +02:00 |
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bebaa45c09
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Update proposition
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2019-09-17 15:32:49 +02:00 |
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40059dde0e
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Proposition of a new format with geometry
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2019-09-16 17:08:01 +02:00 |
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f636b762b3
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Add Code value for each data file
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2019-09-16 12:17:12 +02:00 |
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1552154fb6
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Add geometry to data files
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2019-09-16 12:03:45 +02:00 |
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51a590e875
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Fix exFCI
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2019-09-16 09:52:57 +02:00 |
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762966db99
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Replace Pelican by hugo as website generator
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2019-09-14 15:05:55 +02:00 |
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