eginer
|
ed30db5b81
|
Merge branch 'master' of https://github.com/pfloos/srDFT_G2
|
2019-03-21 17:42:17 +01:00 |
|
eginer
|
05ab62d20f
|
added all G2 at CIPSI + RHF basis
|
2019-03-21 17:42:05 +01:00 |
|
eginer
|
a358446a5d
|
added G2_HF_VDZ_LDA_valence.dat G2_HF_VDZ_LDA.dat
|
2019-03-21 17:37:37 +01:00 |
|
|
|
56b5e69294
|
graphs
|
2019-03-21 17:35:21 +01:00 |
|
eginer
|
dc2368a6ae
|
updated Manuscript
|
2019-03-21 17:29:12 +01:00 |
|
eginer
|
f619747256
|
updated Manuscript
|
2019-03-21 16:55:21 +01:00 |
|
eginer
|
775facf4e8
|
updated G2-srDFT.tex
|
2019-03-21 16:27:59 +01:00 |
|
eginer
|
33f9d9388a
|
added G2_CIPSI_VTZ_pbe_valence.dat G2_CIPSI_VTZ_pbe.dat
|
2019-03-21 16:20:32 +01:00 |
|
eginer
|
0f8d6f2da5
|
added G2_CIPSI_VDZ_pbe.dat G2_CIPSI_VDZ_pbe_valence.dat
|
2019-03-21 16:18:17 +01:00 |
|
eginer
|
3f1f0eaac9
|
added delta_e.eps
|
2019-03-19 18:52:57 +01:00 |
|
eginer
|
9ec15fce5a
|
added stuff to plot
|
2019-03-19 16:10:19 +01:00 |
|
Emmanuel Giner
|
c3d389872a
|
added files to plot on N2
|
2019-03-19 01:30:34 +01:00 |
|
Emmanuel Giner
|
fc2e8b2e7e
|
modified F2
|
2019-03-18 23:33:19 +01:00 |
|
Emmanuel Giner
|
304de116ba
|
modified F2
|
2019-03-18 23:29:47 +01:00 |
|
|
|
05ba2e8a17
|
tatable
|
2019-03-18 15:17:17 +01:00 |
|
|
|
0aaf7328e3
|
tatable
|
2019-03-18 14:54:18 +01:00 |
|
|
|
b462c377c3
|
VTZ graph
|
2019-03-17 09:13:32 +01:00 |
|
Emmanuel Giner
|
cc262e3d48
|
updated v5z F2
|
2019-03-17 00:34:12 +01:00 |
|
Emmanuel Giner
|
a3dadc4f7c
|
updated pdf
|
2019-03-17 00:18:56 +01:00 |
|
Emmanuel Giner
|
3bf2c4d159
|
added G2_CIPSI_VTZ_PBE_valence.dat
|
2019-03-17 00:15:52 +01:00 |
|
Emmanuel Giner
|
8efb1e3f73
|
Merge branch 'master' of https://github.com/pfloos/srDFT_G2
|
2019-03-17 00:10:49 +01:00 |
|
eginer
|
696f155612
|
Merge branch 'master' of https://github.com/pfloos/srDFT_G2
|
2019-03-15 19:01:04 +01:00 |
|
eginer
|
a2962ed550
|
F2 of until VQZ
|
2019-03-15 19:00:53 +01:00 |
|
|
|
5a5fe9f129
|
graphs
|
2019-03-15 17:50:39 +01:00 |
|
eginer
|
785556ed33
|
added G2_CIPSI_VDZ_PBE_valence.dat
|
2019-03-15 16:30:46 +01:00 |
|
eginer
|
a491ffb731
|
modified manuscript
|
2019-03-15 15:54:09 +01:00 |
|
Emmanuel Giner
|
6a8a4a4a72
|
corrected PBE for C2
|
2019-03-15 10:52:00 +01:00 |
|
|
|
73bbf81569
|
new graph
|
2019-03-13 18:25:09 +01:00 |
|
eginer
|
cc437f7420
|
G2_CIPSI_VTZ_PBE_valence.dat and G2_CIPSI_VTZ_PBE.dat are OK
|
2019-03-13 17:36:13 +01:00 |
|
eginer
|
49bf9b0e88
|
data_HF_PBE_VTZ is OK
|
2019-03-13 17:34:44 +01:00 |
|
eginer
|
444e9b8fc8
|
new data
|
2019-03-13 12:31:31 +01:00 |
|
Emmanuel Giner
|
20c3de0acf
|
good G2 data in VTZ
|
2019-03-13 11:21:30 +01:00 |
|
|
|
a35095f04a
|
references
|
2019-03-06 21:53:50 +01:00 |
|
|
|
6d1af03d9b
|
new references
|
2019-03-06 21:46:58 +01:00 |
|
|
|
1affba101e
|
graphs with PBE
|
2019-03-06 21:32:16 +01:00 |
|
eginer
|
c9be3e2cec
|
added G2_CIPSI_VDZ_PBE.dat G2_CIPSI_VDZ_PBE_valence.dat
|
2019-03-06 17:18:56 +01:00 |
|
eginer
|
1dabe9bb40
|
added G2_CIPSI_VTZ_PBE.dat G2_CIPSI_VTZ_PBE_valence.dat
|
2019-03-05 14:05:33 +01:00 |
|
eginer
|
eeeecd7bff
|
added data_HF_PBE_VDZ data_HF_PBE_VTZ
|
2019-03-05 14:02:54 +01:00 |
|
|
|
d473c3aa67
|
graphs for Manu
|
2019-03-02 15:34:15 +01:00 |
|
eginer
|
7e7c511c14
|
added G2 data for LDA HF and valence
|
2019-03-02 14:51:20 +01:00 |
|
eginer
|
528e0f0b8a
|
Merge branch 'master' of https://github.com/pfloos/srDFT_G2
|
2019-03-01 18:44:29 +01:00 |
|
eginer
|
38ec202be1
|
data with no bugs :)
|
2019-03-01 18:44:19 +01:00 |
|
Emmanuel Giner
|
cd405be0ed
|
beginning to script data
|
2019-03-01 01:54:10 +01:00 |
|
|
|
db1aeeee0d
|
data plain CIPSI
|
2019-02-28 14:16:20 +01:00 |
|
|
|
286a3b4144
|
nb
|
2019-02-28 14:08:23 +01:00 |
|
Emmanuel Giner
|
7a413dc9d3
|
added data_HF_LDA_VDZ
|
2019-02-28 13:43:25 +01:00 |
|
Emmanuel Giner
|
e904673df2
|
added tab for C2
|
2019-02-28 13:00:33 +01:00 |
|
Emmanuel Giner
|
4b575a7bf0
|
added final data
|
2018-12-19 14:26:23 +01:00 |
|
Emmanuel Giner
|
5c0321dfbf
|
data_VTZ/
|
2018-12-19 12:49:56 +01:00 |
|
Emmanuel Giner
|
f5bec72ba0
|
adde data_sr_dft_new/
|
2018-12-19 12:47:52 +01:00 |
|
