Commit Graph

45 Commits

Author SHA1 Message Date
57157bf151 new graph 2019-04-13 21:49:32 +02:00
9055ee1ad2 data 2019-04-06 20:27:44 +02:00
0ae081b20b g09 input 2019-03-25 22:30:19 +01:00
0686743820 refs 2019-03-22 17:20:33 +01:00
1553a2f306 refs 2019-03-22 15:34:15 +01:00
Emmanuel Giner
6e1c6195e4 Merge branch 'master' of https://github.com/pfloos/srDFT_G2 2019-03-21 22:56:37 +01:00
Emmanuel Giner
644a96a5ee redone the G2_CIPSI_VDZ_PBE_new.dat G2_CIPSI_VDZ_PBE_new_valence.dat 2019-03-21 22:56:26 +01:00
2b96f19e7c graphs 2019-03-21 22:41:40 +01:00
Emmanuel Giner
85e276b741 added data_very_last 2019-03-21 22:26:53 +01:00
eginer
15b4427308 renamed 2019-03-21 18:02:32 +01:00
a22ec1b655 graphs 2019-03-21 17:54:36 +01:00
ab6ba6f427 Merge branch 'master' of github.com:pfloos/srDFT_G2 2019-03-21 17:41:43 +01:00
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
c11419b465 graphs 2019-03-21 17:41:29 +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
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
0aaf7328e3 tatable 2019-03-18 14:54:18 +01:00
b462c377c3 VTZ graph 2019-03-17 09:13:32 +01:00
Emmanuel Giner
3bf2c4d159 added G2_CIPSI_VTZ_PBE_valence.dat 2019-03-17 00:15:52 +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
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
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
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
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
b43ee92009 added data_VDZ/ data_VTZ/ 2018-12-19 11:48:30 +01:00
Pierre-Francois Loos
813602bcf6 Initial commit 2018-12-04 15:15:01 +01:00