|
|
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 |
|
Emmanuel Giner
|
cd437fca20
|
Na Li
|
2018-12-19 12:10:16 +01:00 |
|
Emmanuel Giner
|
35d2a5bc47
|
fixed conflicts
|
2018-12-19 11:53:48 +01:00 |
|
Emmanuel Giner
|
b43ee92009
|
added data_VDZ/ data_VTZ/
|
2018-12-19 11:48:30 +01:00 |
|
eginer
|
d8efcb955f
|
added data G2 VDZ
|
2018-12-13 20:27:45 +01:00 |
|
eginer
|
db6c20b3b9
|
added all data for G2 in VTZ and VDZ
|
2018-12-11 17:16:45 +01:00 |
|
Emmanuel Giner
|
d78733a591
|
added data on G2 VDZ
|
2018-12-06 09:15:07 +01:00 |
|
Pierre-Francois Loos
|
813602bcf6
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
|
|
|
453df6b5b6
|
Initial commit
|
2018-12-04 15:13:53 +01:00 |
|
