Commit Graph

191 Commits

Author SHA1 Message Date
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
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