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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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5e5d98fb8d
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Fix filenames for STEOM-CCSD
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2020-02-03 17:44:40 +01:00 |
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c878b587f2
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Fix filenames for CCSDR(3)
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2020-02-03 17:43:00 +01:00 |
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0e82af227e
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Fix CBS filenames
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2020-02-03 17:41:37 +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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0986785a0f
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Adjust sticky table head relative to navigation bar
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2020-02-03 14:26:11 +01:00 |
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3cc3911821
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Sticky head for table
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2020-02-03 13:27:32 +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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01830ae23d
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Use Number.IsNaN instead of isNaN
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2020-02-02 15:35:21 +01:00 |
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873d88763f
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Fix bug in data
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2020-02-01 17:50:45 +01:00 |
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8d47040564
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Add optional printNaN to stringFloat
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2020-02-01 17:32:06 +01:00 |
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02dfbe9a9e
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fix bug in floatUtils
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2020-02-01 17:27:22 +01:00 |
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554d3ee84c
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Missing ! operator
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2020-02-01 17:19:40 +01:00 |
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89007ebdd6
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Use the new floatUtils
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2020-02-01 17:14:52 +01:00 |
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b46acd130b
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Combine checkFloat and StringFloat files to floatUtils.js
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2020-02-01 17:13:33 +01:00 |
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74509f97ee
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Add stringFLoat class in js that help to keep significant figure
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2020-02-01 16:58:43 +01:00 |
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ea6c37d4f9
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Add function to check if string can be converted float in JavaScript
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2020-02-01 16:54:00 +01:00 |
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6c5f082e3b
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selectSelectAll is now a separate function
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2020-01-29 17:41:38 +01:00 |
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47487c4d61
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Modernize option selection
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2020-01-29 17:36:50 +01:00 |
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69c4afa43c
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Add enumUtils to handle enum getFlags(value) and All corectly
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2020-01-29 17:20:35 +01:00 |
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bc297ae40d
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trigger("change") for selectSelectAll
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2020-01-29 17:20:35 +01:00 |
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976a56adac
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Use same class for Absorption and fluorescence files and improve select
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2020-01-29 17:20:35 +01:00 |
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7d5d38a1e9
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Fallback when backdrop-filter or -webkit-backdrop-filter not exist like in FireFox
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2020-01-29 17:20:35 +01:00 |
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3d92e97ffb
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Add comment for color-emoji
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2020-01-29 17:20:35 +01:00 |
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71ec661006
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Center all numeric cell in table
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2020-01-29 17:20:35 +01:00 |
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809271da76
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Fix carbon monoxide typo
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2020-01-29 17:20:34 +01:00 |
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feea071247
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Fix excitations for carbon monoxide
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2020-01-29 17:20:34 +01:00 |
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43024a98a3
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Fix excitations for diazomethane
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2020-01-29 17:20:34 +01:00 |
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ed38488c26
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Fix excitation for nitrosomethane
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2020-01-29 17:20:34 +01:00 |
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d60a5fb2fc
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Fix excitation for ketene
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2020-01-29 17:20:34 +01:00 |
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fbbe3ac76b
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Fix excitation for formamide
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2020-01-29 17:20:34 +01:00 |
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9a0eb03769
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Fix excitation for formaldehyde
|
2020-01-29 17:20:34 +01:00 |
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5c36e484e8
|
Set unsafe for the 2 first A' of formamide
|
2020-01-29 17:20:34 +01:00 |
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11fdb62376
|
Set unsafe for n,n->π*,π*
|
2020-01-29 17:20:34 +01:00 |
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71aa05ac2b
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Fix excited state for ammonia
|
2020-01-29 17:20:34 +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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8cb95c952b
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Copy excitationType from TBE
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2020-01-29 17:20:34 +01:00 |
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10a6482502
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Fix parsing problem for single
|
2020-01-29 17:20:34 +01:00 |
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88acab0c32
|
Fix transition for water
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2020-01-29 17:20:34 +01:00 |
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b9110a694c
|
Fix transition for thioformaldehyde
|
2020-01-29 17:20:34 +01:00 |
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97b575d1bb
|
Fix transition for formaldehyde
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2020-01-29 17:20:34 +01:00 |
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506d6db60e
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Fix transition for diazomethane
|
2020-01-29 17:20:34 +01:00 |
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ddf5d97e2c
|
Fix transition for ammonia
|
2020-01-29 17:20:34 +01:00 |
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0131432b07
|
Use ∞ symbol instead of latex
|
2020-01-29 17:20:34 +01:00 |
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bd6dd042bd
|
Fix isCorrected
|
2020-01-29 17:20:34 +01:00 |
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8da9f6fff4
|
Update sets names
|
2020-01-29 17:20:34 +01:00 |
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084fab59ff
|
Fix typo Singlet
|
2020-01-29 17:20:34 +01:00 |
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3b2776041d
|
Delete not wanted file
|
2020-01-29 17:20:34 +01:00 |
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e4bc15babe
|
Fix bad DOI
|
2020-01-29 17:20:34 +01:00 |
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b62e1f1a72
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Fix infty not loadable with a rename
|
2020-01-29 17:20:34 +01:00 |
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ceed877727
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Add information for missing table
|
2020-01-29 17:20:34 +01:00 |
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a1fd68d63c
|
Add missing table
|
2020-01-29 17:20:34 +01:00 |
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a2f04156a3
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
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f051f48b42
|
Add geometry for new files
|
2020-01-29 17:20:34 +01:00 |
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b50c16e001
|
Replace CC3(FC) by CC3
|
2020-01-29 17:20:34 +01:00 |
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|
2d91d4d32d
|
Fix warning color emoji on macOS
|
2020-01-29 17:20:34 +01:00 |
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|
5a61b3fc92
|
Fix nestedCheckbox parent behaviour
|
2020-01-29 17:20:34 +01:00 |
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abae66d2b3
|
Fix publication not shown in select when it's not in sets
|
2020-01-29 17:20:34 +01:00 |
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|
0d719fd918
|
Fix double flag not set
|
2020-01-29 17:20:34 +01:00 |
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|
94cb411297
|
Fix supporting information
|
2020-01-29 17:20:34 +01:00 |
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b29ce581d2
|
Add DOI to new datas
|
2020-01-29 17:20:34 +01:00 |
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f60e0ffa91
|
Add support for Supporting info (SI)
|
2020-01-29 17:20:34 +01:00 |
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68eac5baf5
|
Add Larger compounds table of supporting
|
2020-01-29 17:20:34 +01:00 |
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|
0da83827b0
|
Add thioformaldehyde CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
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|
46a96c3329
|
Add Methanimine CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
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|
81ad786acd
|
Add Formaldehyde CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
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|
ea27a61da6
|
Add Ethylene CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
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|
cc6f12852e
|
Add acetylene CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
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|
9b9fa79d88
|
Add Carbon monoxide CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
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|
|
1e6248812c
|
Fix Full FC in basis
|
2020-01-29 17:20:34 +01:00 |
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|
|
7349f30380
|
Add Dinitrogen CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
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|
|
42f2712f67
|
Add hydrogen chloride CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
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|
8034c12340
|
Add ammonia CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
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|
ba3cc8382b
|
Add hydrogen sulfide CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
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|
a8b14bba72
|
Add water CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
|
|
1e143b9d16
|
Add singulet and triplet eexcitation type
|
2020-01-29 17:20:34 +01:00 |
|
|
|
705bc731bc
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
|
|
91d7ed72f5
|
Set other value to max bit shifts 1 << 31
|
2020-01-29 17:20:34 +01:00 |
|
|
|
387981c6a8
|
Fix parsing others
|
2020-01-29 17:20:34 +01:00 |
|
|
|
05e39690e0
|
Fix π->π* parsing
|
2020-01-29 17:20:34 +01:00 |
|
|
|
c38cf55e79
|
Add others excitationType
|
2020-01-29 17:20:34 +01:00 |
|
|
|
f1d24fb938
|
Fix excitation type parsing
|
2020-01-29 17:20:34 +01:00 |
|
|
|
7d2f503388
|
Add basis for TBE
|
2020-01-29 17:20:34 +01:00 |
|
|
|
01492d7c52
|
Add padding for label
|
2020-01-29 17:20:34 +01:00 |
|
|
|
1d59151f3e
|
Fix excitationFilter presentation
|
2020-01-29 17:20:34 +01:00 |
|
|
|
134dc0c6e4
|
Fix bad word
|
2020-01-29 17:20:34 +01:00 |
|
|
|
f817d7329f
|
Fix parenthesis
|
2020-01-29 17:20:34 +01:00 |
|
|
|
ef60928c4f
|
Fix value instead of Value
|
2020-01-29 17:20:34 +01:00 |
|
|
|
c72176d808
|
Add nestedCheckboxes eventHandler
|
2020-01-29 17:20:34 +01:00 |
|
|
|
74dce2168f
|
Use << (left shift) operator instead of fixed value to set excitationType
|
2020-01-29 17:20:34 +01:00 |
|
|
|
2434659c95
|
FIx bugs and add newtable
|
2020-01-29 17:20:34 +01:00 |
|
|
|
06ac6fdcfe
|
Add adtitional function to DOICache
|
2020-01-29 17:20:34 +01:00 |
|
|
|
3a72177129
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
|
|
8caf38678a
|
Add geometry
|
2020-01-29 17:20:34 +01:00 |
|
|
|
fc6b536cab
|
Replace method with expermental when is needed
|
2020-01-29 17:20:34 +01:00 |
|
|
|
e3fc183184
|
Add DOI
|
2020-01-29 17:20:34 +01:00 |
|
|
|
3c54772499
|
Rename exp
|
2020-01-29 17:20:34 +01:00 |
|
|
|
288a0a8650
|
Delete all Th and Theo
|
2020-01-29 17:20:34 +01:00 |
|
|
|
a650004aa9
|
Add TBE
|
2020-01-29 17:20:34 +01:00 |
|
