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6d60670292
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getting there
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2019-04-05 14:18:33 +02:00 |
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1a978d60a0
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LDA and PBE
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2019-04-05 14:01:17 +02:00 |
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f0eec872ca
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Merge branch 'master' of https://github.com/pfloos/srDFT_G2
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2019-04-05 12:21:58 +02:00 |
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412fab2084
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Bread on the board
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2019-04-05 12:21:37 +02:00 |
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Emmanuel Giner
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11c1ee2552
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Merge branch 'master' of https://github.com/pfloos/srDFT_G2
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2019-04-05 11:52:37 +02:00 |
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Emmanuel Giner
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2b679ac766
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updated tab for C2
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2019-04-05 11:52:27 +02:00 |
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da7d214ab6
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SiH3
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2019-04-05 10:46:03 +02:00 |
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25322128fa
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v5z
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2019-04-05 09:54:46 +02:00 |
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2d8a5b1ed5
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aug
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2019-04-05 09:54:06 +02:00 |
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869c8899be
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v5z and others
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2019-04-05 09:50:55 +02:00 |
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d99dac8be8
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Bread on the board
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2019-04-05 00:11:34 +02:00 |
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8db9a5f54d
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Done with valence
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2019-04-04 23:19:00 +02:00 |
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50b0f82a34
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Done with effective operator
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2019-04-04 22:39:40 +02:00 |
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d6399f5dde
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work in progress
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2019-04-04 21:57:12 +02:00 |
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1f3c11517e
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work in progress
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2019-04-04 21:53:32 +02:00 |
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eginer
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1c038ae2d4
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Merge branch 'master' of https://github.com/pfloos/srDFT_G2
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2019-04-04 18:08:36 +02:00 |
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eginer
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ea311c4337
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working on the manuscript
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2019-04-04 18:08:21 +02:00 |
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de40e4c6cf
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work in progress
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2019-04-04 17:59:12 +02:00 |
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eginer
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dfa28a56f2
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modifed manuscript
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2019-04-04 16:47:03 +02:00 |
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4fe079b2c2
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First page done
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2019-04-04 16:39:02 +02:00 |
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61047ab3b3
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First page done
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2019-04-04 16:37:29 +02:00 |
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eginer
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f8527ef341
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Merge branch 'master' of https://github.com/pfloos/srDFT_G2
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2019-04-04 16:09:39 +02:00 |
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eginer
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ea6320fac2
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updated table
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2019-04-04 16:09:35 +02:00 |
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1fa30f93af
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SI
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2019-04-04 15:14:31 +02:00 |
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eginer
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d1510cdfe5
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updated bib
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2019-04-04 15:06:30 +02:00 |
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eginer
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3ade4c1bad
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added Ref from Julien
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2019-04-04 15:03:36 +02:00 |
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96a6f4b625
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SI
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2019-04-04 13:43:22 +02:00 |
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ca128a0e6d
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data
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2019-04-04 11:10:45 +02:00 |
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Emmanuel Giner
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931f521816
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added data DFT for avdz avtz
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2019-04-04 09:13:41 +02:00 |
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ae3688f71d
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Intro 1st shot
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2019-04-03 22:57:09 +02:00 |
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10e74cf734
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Intro 1st shot
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2019-04-03 22:55:36 +02:00 |
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033b13935d
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Intro 1st shot
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2019-04-03 22:55:12 +02:00 |
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Emmanuel Giner
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9a7d98c0ec
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updated manuscript
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2019-04-03 17:34:31 +02:00 |
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Emmanuel Giner
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a788cbdf53
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updated manuscript
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2019-04-03 16:05:52 +02:00 |
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Emmanuel Giner
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c05a355335
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pouet
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2019-04-02 18:20:10 +02:00 |
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eginer
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4def99ccba
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updated manuscript
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2019-04-02 16:23:05 +02:00 |
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eginer
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1b5a13dd59
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updated manuscript
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2019-04-02 16:16:54 +02:00 |
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eginer
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e5036cbbfc
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updated
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2019-04-02 14:15:35 +02:00 |
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eginer
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05f0113ccd
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removed Cheese nan
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2019-04-02 13:36:54 +02:00 |
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eginer
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25ab254f48
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added all vdz vtz vqz for mixed core
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2019-04-02 12:34:52 +02:00 |
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eginer
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6baaa9a995
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added data_CC_vqz_g09 data_HF_vqz data_HF_vqz_g09 data_LDA_vqz data_PBE_vqz
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2019-04-02 12:32:12 +02:00 |
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eginer
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94de9393e0
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added Li2.out BeH.out LiH.out Na2.out for mixed core in vqz
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2019-04-02 12:28:53 +02:00 |
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eginer
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c293cb38e7
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added Big_data/Mixed_core vdz and vtz with proper names and sorting
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2019-04-02 11:36:49 +02:00 |
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eginer
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d94e8e09b1
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updated G09 data
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2019-04-02 11:16:28 +02:00 |
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eginer
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660c637311
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finished table for manuscript
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2019-04-02 11:07:57 +02:00 |
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eginer
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4a7467cdac
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Merge branch 'master' of https://github.com/pfloos/srDFT_G2
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2019-04-02 10:56:37 +02:00 |
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78025c4826
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vqz
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2019-04-02 09:22:30 +02:00 |
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13831505c6
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diatomics
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2019-04-01 22:37:17 +02:00 |
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0df01ae137
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C2
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2019-04-01 22:35:49 +02:00 |
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dacf1b8d7e
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G09/Small_core/Molecules
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2019-04-01 14:54:35 +02:00 |
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