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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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472a688d97
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v5z done
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2019-04-05 14:07:07 +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 |
|
Emmanuel Giner
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2b679ac766
|
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 |
|
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
|
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
|
2019-04-04 16:37:29 +02:00 |
|
eginer
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f8527ef341
|
Merge branch 'master' of https://github.com/pfloos/srDFT_G2
|
2019-04-04 16:09:39 +02:00 |
|
eginer
|
ea6320fac2
|
updated table
|
2019-04-04 16:09:35 +02:00 |
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1fa30f93af
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SI
|
2019-04-04 15:14:31 +02:00 |
|
eginer
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d1510cdfe5
|
updated bib
|
2019-04-04 15:06:30 +02:00 |
|
eginer
|
3ade4c1bad
|
added Ref from Julien
|
2019-04-04 15:03:36 +02:00 |
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96a6f4b625
|
SI
|
2019-04-04 13:43:22 +02:00 |
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ca128a0e6d
|
data
|
2019-04-04 11:10:45 +02:00 |
|
Emmanuel Giner
|
931f521816
|
added data DFT for avdz avtz
|
2019-04-04 09:13:41 +02:00 |
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ae3688f71d
|
Intro 1st shot
|
2019-04-03 22:57:09 +02:00 |
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10e74cf734
|
Intro 1st shot
|
2019-04-03 22:55:36 +02:00 |
|
|
|
033b13935d
|
Intro 1st shot
|
2019-04-03 22:55:12 +02:00 |
|
Emmanuel Giner
|
9a7d98c0ec
|
updated manuscript
|
2019-04-03 17:34:31 +02:00 |
|
Emmanuel Giner
|
a788cbdf53
|
updated manuscript
|
2019-04-03 16:05:52 +02:00 |
|
Emmanuel Giner
|
c05a355335
|
pouet
|
2019-04-02 18:20:10 +02:00 |
|
eginer
|
4def99ccba
|
updated manuscript
|
2019-04-02 16:23:05 +02:00 |
|
eginer
|
1b5a13dd59
|
updated manuscript
|
2019-04-02 16:16:54 +02:00 |
|
eginer
|
e5036cbbfc
|
updated
|
2019-04-02 14:15:35 +02:00 |
|
eginer
|
05f0113ccd
|
removed Cheese nan
|
2019-04-02 13:36:54 +02:00 |
|
eginer
|
25ab254f48
|
added all vdz vtz vqz for mixed core
|
2019-04-02 12:34:52 +02:00 |
|
eginer
|
6baaa9a995
|
added data_CC_vqz_g09 data_HF_vqz data_HF_vqz_g09 data_LDA_vqz data_PBE_vqz
|
2019-04-02 12:32:12 +02:00 |
|
eginer
|
94de9393e0
|
added Li2.out BeH.out LiH.out Na2.out for mixed core in vqz
|
2019-04-02 12:28:53 +02:00 |
|
eginer
|
c293cb38e7
|
added Big_data/Mixed_core vdz and vtz with proper names and sorting
|
2019-04-02 11:36:49 +02:00 |
|
eginer
|
d94e8e09b1
|
updated G09 data
|
2019-04-02 11:16:28 +02:00 |
|
eginer
|
660c637311
|
finished table for manuscript
|
2019-04-02 11:07:57 +02:00 |
|
eginer
|
4a7467cdac
|
Merge branch 'master' of https://github.com/pfloos/srDFT_G2
|
2019-04-02 10:56:37 +02:00 |
|
|
|
78025c4826
|
vqz
|
2019-04-02 09:22:30 +02:00 |
|
|
|
13831505c6
|
diatomics
|
2019-04-01 22:37:17 +02:00 |
|
|
|
0df01ae137
|
C2
|
2019-04-01 22:35:49 +02:00 |
|
