Commit Graph

83 Commits

Author SHA1 Message Date
b4bea9bb87 theory 2019-04-06 11:47:48 +02:00
99deb35b7c Tables and Figs OK 2019-04-06 00:40:28 +02:00
a56c43cc92 commit b4 erase table 2019-04-06 00:21:18 +02:00
b3e7ff3b6b results 2019-04-05 23:58:59 +02:00
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61a118bc11 Merge branch 'master' of https://github.com/pfloos/srDFT_G2 2019-04-05 15:47:59 +02:00
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26889d5691 pouet 2019-04-05 15:47:55 +02:00
64b9f3ae10 getting there 2019-04-05 15:34:11 +02:00
e142c34d2c getting there 2019-04-05 15:23:07 +02:00
6d60670292 getting there 2019-04-05 14:18:33 +02:00
1a978d60a0 LDA and PBE 2019-04-05 14:01:17 +02:00
f0eec872ca Merge branch 'master' of https://github.com/pfloos/srDFT_G2 2019-04-05 12:21:58 +02:00
412fab2084 Bread on the board 2019-04-05 12:21:37 +02:00
Emmanuel Giner
2b679ac766 updated tab for C2 2019-04-05 11:52:27 +02:00
d99dac8be8 Bread on the board 2019-04-05 00:11:34 +02:00
8db9a5f54d Done with valence 2019-04-04 23:19:00 +02:00
50b0f82a34 Done with effective operator 2019-04-04 22:39:40 +02:00
d6399f5dde work in progress 2019-04-04 21:57:12 +02:00
1f3c11517e work in progress 2019-04-04 21:53:32 +02:00
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1c038ae2d4 Merge branch 'master' of https://github.com/pfloos/srDFT_G2 2019-04-04 18:08:36 +02:00
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ea311c4337 working on the manuscript 2019-04-04 18:08:21 +02:00
de40e4c6cf work in progress 2019-04-04 17:59:12 +02:00
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dfa28a56f2 modifed manuscript 2019-04-04 16:47:03 +02:00
4fe079b2c2 First page done 2019-04-04 16:39:02 +02:00
61047ab3b3 First page done 2019-04-04 16:37:29 +02:00
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f8527ef341 Merge branch 'master' of https://github.com/pfloos/srDFT_G2 2019-04-04 16:09:39 +02:00
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ea6320fac2 updated table 2019-04-04 16:09:35 +02:00
1fa30f93af SI 2019-04-04 15:14:31 +02:00
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d1510cdfe5 updated bib 2019-04-04 15:06:30 +02:00
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3ade4c1bad added Ref from Julien 2019-04-04 15:03:36 +02:00
96a6f4b625 SI 2019-04-04 13:43:22 +02:00
ae3688f71d Intro 1st shot 2019-04-03 22:57:09 +02:00
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
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4def99ccba updated manuscript 2019-04-02 16:23:05 +02:00
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1b5a13dd59 updated manuscript 2019-04-02 16:16:54 +02:00
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e5036cbbfc updated 2019-04-02 14:15:35 +02:00
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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
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660c637311 finished table for manuscript 2019-04-02 11:07:57 +02:00
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73411105be updated manusript 2019-04-01 14:04:58 +02:00
Emmanuel Giner
7c18cfb653 updated manuscript 2019-04-01 11:49:21 +02:00
Emmanuel Giner
b75a64e6ea added get_cc.sh 2019-04-01 11:25:54 +02:00
Emmanuel Giner
98ba6ac4d0 updated atomization energies 2019-03-31 19:02:01 +02:00
Emmanuel Giner
261dad14fd updated manuscript 2019-03-31 17:57:41 +02:00
Emmanuel Giner
88b5e14eab added data vqz 2019-03-31 17:01:41 +02:00
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981def21a3 added extrapolated data and reorganized tab 2019-03-29 13:38:44 +01:00
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bfffa331cb entered data for N2 at CCSD(T) level for vdz and vtz 2019-03-28 16:45:38 +01:00
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694a342953 added G2-srDFT.bib 2019-03-28 15:14:31 +01:00