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1b0f196a6f
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update QUEST5 and molecule image (#1)
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2020-11-27 10:34:34 +01:00 |
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Anthony Scemama
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eae930b25f
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Update README.md
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2020-11-26 00:38:53 +01:00 |
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e03fb28a47
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Cleaning
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2020-11-26 00:29:06 +01:00 |
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Anthony Scemama
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3e731d0579
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Create LICENSE
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2020-11-25 23:44:46 +01:00 |
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616e23fc62
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Fix URL
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2020-11-25 01:59:56 +01:00 |
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2b6099dff9
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Deploy
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2020-11-25 01:52:53 +01:00 |
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988e660d23
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https
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2020-11-25 00:23:08 +01:00 |
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ad91451372
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Add patch in workflow
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2020-11-25 00:19:24 +01:00 |
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38a13023d1
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Add LCPQ baseURL
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2020-11-25 00:15:41 +01:00 |
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036df2f5a5
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README
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2020-11-24 19:21:06 +01:00 |
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daef56c12e
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Update README
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2020-11-24 19:17:23 +01:00 |
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66636ad021
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Issue tracker
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2020-11-24 18:59:01 +01:00 |
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1a77a4c0a5
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Merge branch 'master' of github.com:LCPQ/QUESTDB_website into site
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2020-11-24 17:02:39 +01:00 |
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db72955f92
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Fix links
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2020-11-24 14:35:40 +01:00 |
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938e2459c3
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Merge pull request #2 from scemama/master
Fast loading time
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2020-11-20 11:07:22 +01:00 |
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4fc8eb482d
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Metadata
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2020-11-20 10:15:57 +01:00 |
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da30a4b6c9
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localhost
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2020-11-20 10:00:44 +01:00 |
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bdb707b0b7
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sudo
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2020-11-20 09:54:19 +01:00 |
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d74b2e2970
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Install hugo from snap
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2020-11-20 09:53:08 +01:00 |
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ed6abed7e2
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Trigger deployment
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2020-11-20 09:45:25 +01:00 |
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Anthony Scemama
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8df316729e
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Merge pull request #2 from scemama/site
First gh-pages script
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2020-11-20 09:24:27 +01:00 |
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d684b5278a
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First gh-pages script
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2020-11-20 09:19:04 +01:00 |
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feaee8acd1
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Fast loading time
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2020-11-20 00:23:28 +01:00 |
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62b92912b6
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Fast load time
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2020-11-19 23:56:04 +01:00 |
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768420b677
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Acceleration
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2020-11-19 23:18:52 +01:00 |
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5d637180c7
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Faster uniq function
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2020-11-19 23:12:14 +01:00 |
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f694529175
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Remove some async DOI
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2020-11-19 21:06:36 +01:00 |
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Anthony Scemama
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8fe50701d9
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Merge pull request #1 from mveril/master
merge
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2020-11-19 19:05:42 +01:00 |
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869e104e15
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Update README to taking to account the Toto modifications
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2020-11-18 10:07:46 +01:00 |
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cba1f0db7f
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Update gitignore
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2020-11-16 17:11:24 +01:00 |
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f325a22567
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Merge pull request #1 from scemama/master
Accelerate load time
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2020-11-16 17:03:18 +01:00 |
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ca253f8a8d
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Merge branch 'master' of github.com:scemama/QUESTDB_website
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2020-11-16 15:46:47 +01:00 |
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a77774882e
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Simplified code
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2020-11-16 12:56:16 +01:00 |
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8961e3e06a
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Accelerated load time
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2020-11-16 12:44:21 +01:00 |
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b16f494beb
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Typos in README
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2020-11-16 09:20:40 +01:00 |
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eab0b55eba
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Fix title level ADC25generator
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2020-11-13 14:47:08 +01:00 |
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bd1b1a4fb9
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Update README metarecover is no longer a bash script
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2020-11-13 14:38:26 +01:00 |
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e772846992
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Replace metarecover bash script by a more flexible python version in order to use python for each tools
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2020-11-10 17:40:14 +01:00 |
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f7c410a5f4
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Fix CCSDT-3 and EOM-MP2 for QUEST#5
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2020-11-09 16:40:05 +01:00 |
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31ca4517ba
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Fix excitation type
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2020-11-09 16:04:25 +01:00 |
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bb0aa13dbf
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Fix data for new methods
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2020-11-09 10:53:26 +01:00 |
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a42b85d6fa
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Add missing acronym CT
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2020-11-09 10:12:28 +01:00 |
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1f62b3f740
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Update and fix QUEST#5 data
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2020-11-04 15:42:53 +01:00 |
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6c2725544f
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Update QUEST#5 LaTeX input
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2020-11-04 15:34:00 +01:00 |
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aaff681f2d
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Fix missing acronyms
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2020-11-04 15:31:54 +01:00 |
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a130be8fd6
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Use dictionary for GetTypeFromAcronym
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2020-11-04 14:18:12 +01:00 |
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114a62bb11
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Fix unrecognized acronym error sentence
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2020-11-04 13:11:05 +01:00 |
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71c7b90df7
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Fix GetTypeFromAcronym bug that set \pi \rightarrow 3p for spi, non-d and unrecognized acronyms
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2020-11-04 13:09:30 +01:00 |
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d10b6d3b05
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Fix %T_1 missing on TBE for octatetraene
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2020-11-03 16:36:32 +01:00 |
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b535c5dca6
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Fix problem with xyz geometry with the line containing the number of atoms have right extra space are not readed correctly
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2020-11-02 15:19:10 +01:00 |
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