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035148a3a9
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Theory OK for T2
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2019-04-06 21:32:29 +02:00 |
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b294c14818
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refs
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2019-04-06 20:25:34 +02:00 |
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Emmanuel Giner
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c6b2f2cb76
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comments
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2019-04-06 16:40:57 +02:00 |
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7d46a0e403
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T2 almost happy
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2019-04-06 15:42:33 +02:00 |
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bfa23f48da
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theory
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2019-04-06 15:10:49 +02:00 |
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eeccf20717
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theory
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2019-04-06 14:41:48 +02:00 |
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4b7d5b035b
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theory
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2019-04-06 12:13:33 +02:00 |
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b4bea9bb87
|
theory
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2019-04-06 11:47:48 +02:00 |
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99deb35b7c
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Tables and Figs OK
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2019-04-06 00:40:28 +02:00 |
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a56c43cc92
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commit b4 erase table
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2019-04-06 00:21:18 +02:00 |
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b3e7ff3b6b
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results
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2019-04-05 23:58:59 +02:00 |
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eginer
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61a118bc11
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Merge branch 'master' of https://github.com/pfloos/srDFT_G2
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2019-04-05 15:47:59 +02:00 |
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eginer
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26889d5691
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pouet
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2019-04-05 15:47:55 +02:00 |
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64b9f3ae10
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getting there
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2019-04-05 15:34:11 +02:00 |
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e142c34d2c
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getting there
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2019-04-05 15:23:07 +02:00 |
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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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2b679ac766
|
updated tab for C2
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2019-04-05 11:52:27 +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
|
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
|
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
|
modifed manuscript
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2019-04-04 16:47:03 +02:00 |
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4fe079b2c2
|
First page done
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2019-04-04 16:39:02 +02:00 |
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61047ab3b3
|
First page done
|
2019-04-04 16:37:29 +02:00 |
|
eginer
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ea6320fac2
|
updated table
|
2019-04-04 16:09:35 +02:00 |
|
eginer
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d1510cdfe5
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updated bib
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2019-04-04 15:06:30 +02:00 |
|
eginer
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3ade4c1bad
|
added Ref from Julien
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2019-04-04 15:03:36 +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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033b13935d
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Intro 1st shot
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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
|
7c18cfb653
|
updated manuscript
|
2019-04-01 11:49:21 +02:00 |
|
Emmanuel Giner
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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
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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 |
|
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 |
|
Emmanuel Giner
|
02be2ba740
|
updated Manuscript
|
2019-03-27 16:36:44 +01:00 |
|
Emmanuel Giner
|
bf63ae8528
|
added the g09_zmat_to_qp_create.py
|
2019-03-26 14:03:27 +01:00 |
|
Emmanuel Giner
|
01427c87bd
|
updated tex
|
2019-03-25 20:02:28 +01:00 |
|
