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084fab59ff
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Fix typo Singlet
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2020-01-29 17:20:34 +01:00 |
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3b2776041d
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Delete not wanted file
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2020-01-29 17:20:34 +01:00 |
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cf683fb59d
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dissociate Method and basis selector
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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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5d5503c075
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Revert "Combine all basis for statistics"
This reverts commit 09ad520fce3d6cabe317f5677d46fd2af8f796d2.
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2020-01-29 17:20:34 +01:00 |
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10ad157c04
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Fix cleaning select
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2020-01-29 17:20:34 +01:00 |
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be116ca2db
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Combine all basis for statistics
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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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c166b3555d
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Combine supporting and not for statistics
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2020-01-29 17:20:34 +01:00 |
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5bb19399f3
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Change filters beaviour (one or more criteria)
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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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2d91d4d32d
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Fix warning color emoji on macOS
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2020-01-29 17:20:34 +01:00 |
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5a61b3fc92
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Fix nestedCheckbox parent behaviour
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2020-01-29 17:20:34 +01:00 |
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abae66d2b3
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Fix publication not shown in select when it's not in sets
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2020-01-29 17:20:34 +01:00 |
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13f775a03c
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Add description for Singulet and Triplet
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2020-01-29 17:20:34 +01:00 |
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0d719fd918
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Fix double flag not set
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2020-01-29 17:20:34 +01:00 |
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94cb411297
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Fix supporting information
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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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f60e0ffa91
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Add support for Supporting info (SI)
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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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46a96c3329
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Add Methanimine 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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ea27a61da6
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Add Ethylene 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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9b9fa79d88
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Add Carbon monoxide CC3 supporting
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2020-01-29 17:20:34 +01:00 |
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1e6248812c
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Fix Full FC in basis
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2020-01-29 17:20:34 +01:00 |
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7349f30380
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Add Dinitrogen CC3 supporting
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2020-01-29 17:20:34 +01:00 |
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42f2712f67
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Add hydrogen chloride CC3 supporting
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2020-01-29 17:20:34 +01:00 |
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8034c12340
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Add ammonia CC3 supporting
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2020-01-29 17:20:34 +01:00 |
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ba3cc8382b
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Add hydrogen sulfide CC3 supporting
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2020-01-29 17:20:34 +01:00 |
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a8b14bba72
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Add water CC3 supporting
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2020-01-29 17:20:34 +01:00 |
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1e143b9d16
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Add singulet and triplet eexcitation type
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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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91d7ed72f5
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Set other value to max bit shifts 1 << 31
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2020-01-29 17:20:34 +01:00 |
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387981c6a8
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Fix parsing others
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2020-01-29 17:20:34 +01:00 |
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05e39690e0
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Fix π->π* parsing
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2020-01-29 17:20:34 +01:00 |
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c38cf55e79
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Add others excitationType
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2020-01-29 17:20:34 +01:00 |
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c5b02bc94b
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Fix excitationType filtering
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2020-01-29 17:20:34 +01:00 |
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f1d24fb938
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Fix excitation type parsing
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2020-01-29 17:20:34 +01:00 |
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7d2f503388
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Add basis for TBE
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2020-01-29 17:20:34 +01:00 |
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e739847e22
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Fix #Allowlist
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2020-01-29 17:20:34 +01:00 |
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01492d7c52
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Add padding for label
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2020-01-29 17:20:34 +01:00 |
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1d59151f3e
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Fix excitationFilter presentation
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2020-01-29 17:20:34 +01:00 |
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134dc0c6e4
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Fix bad word
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2020-01-29 17:20:34 +01:00 |
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291087356d
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Add excitationType description to checkboxes
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2020-01-29 17:20:34 +01:00 |
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