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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 |
|
Emmanuel Giner
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931f521816
|
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
|
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
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a788cbdf53
|
updated manuscript
|
2019-04-03 16:05:52 +02:00 |
|
Emmanuel Giner
|
c05a355335
|
pouet
|
2019-04-02 18:20:10 +02:00 |
|
eginer
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4def99ccba
|
updated manuscript
|
2019-04-02 16:23:05 +02:00 |
|
eginer
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1b5a13dd59
|
updated manuscript
|
2019-04-02 16:16:54 +02:00 |
|
eginer
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e5036cbbfc
|
updated
|
2019-04-02 14:15:35 +02:00 |
|
eginer
|
05f0113ccd
|
removed Cheese nan
|
2019-04-02 13:36:54 +02:00 |
|
eginer
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25ab254f48
|
added all vdz vtz vqz for mixed core
|
2019-04-02 12:34:52 +02:00 |
|
eginer
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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
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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 |
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78025c4826
|
vqz
|
2019-04-02 09:22:30 +02:00 |
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13831505c6
|
diatomics
|
2019-04-01 22:37:17 +02:00 |
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0df01ae137
|
C2
|
2019-04-01 22:35:49 +02:00 |
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dacf1b8d7e
|
G09/Small_core/Molecules
|
2019-04-01 14:54:35 +02:00 |
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9e5e13ae0d
|
G09/Small_core/Atoms
|
2019-04-01 14:51:46 +02:00 |
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e1939a3897
|
G09/Large_core/Atoms/v5z
|
2019-04-01 14:49:14 +02:00 |
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|
|
0dbdc032c1
|
N2 and O2
|
2019-04-01 14:47:40 +02:00 |
|
eginer
|
73411105be
|
updated manusript
|
2019-04-01 14:04:58 +02:00 |
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|
|
12a2384d5c
|
v5z
|
2019-04-01 13:38:24 +02:00 |
|
|
|
2f9f38a7d5
|
atoms
|
2019-04-01 13:29:55 +02:00 |
|
|
|
376a7d1e9b
|
Mixed core
|
2019-04-01 12:09:35 +02:00 |
|
Emmanuel Giner
|
7c18cfb653
|
updated manuscript
|
2019-04-01 11:49:21 +02:00 |
|
