|
|
a56c43cc92
|
commit b4 erase table
|
2019-04-06 00:21:18 +02:00 |
|
|
|
b3e7ff3b6b
|
results
|
2019-04-05 23:58:59 +02:00 |
|
eginer
|
61a118bc11
|
Merge branch 'master' of https://github.com/pfloos/srDFT_G2
|
2019-04-05 15:47:59 +02:00 |
|
eginer
|
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 |
|
eginer
|
1c038ae2d4
|
Merge branch 'master' of https://github.com/pfloos/srDFT_G2
|
2019-04-04 18:08:36 +02:00 |
|
eginer
|
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 |
|
eginer
|
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 |
|
eginer
|
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 |
|
|
|
1fa30f93af
|
SI
|
2019-04-04 15:14:31 +02:00 |
|
eginer
|
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 |
|
|
|
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 |
|
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
|
94de9393e0
|
added Li2.out BeH.out LiH.out Na2.out for mixed core in vqz
|
2019-04-02 12:28:53 +02:00 |
|
eginer
|
660c637311
|
finished table for manuscript
|
2019-04-02 11:07:57 +02:00 |
|
eginer
|
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 |
|
eginer
|
981def21a3
|
added extrapolated data and reorganized tab
|
2019-03-29 13:38:44 +01:00 |
|
eginer
|
bfffa331cb
|
entered data for N2 at CCSD(T) level for vdz and vtz
|
2019-03-28 16:45:38 +01:00 |
|
eginer
|
694a342953
|
added G2-srDFT.bib
|
2019-03-28 15:14:31 +01:00 |
|
Emmanuel Giner
|
8179533cec
|
updated manuscript
|
2019-03-28 11:46:02 +01:00 |
|
Emmanuel Giner
|
49b3ea461a
|
updated table
|
2019-03-27 18:06:05 +01:00 |
|
