Commit Graph

18 Commits

Author SHA1 Message Date
2b96f19e7c graphs 2019-03-21 22:41:40 +01:00
eginer
15b4427308 renamed 2019-03-21 18:02:32 +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
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
Emmanuel Giner
3bf2c4d159 added G2_CIPSI_VTZ_PBE_valence.dat 2019-03-17 00:15:52 +01:00
eginer
785556ed33 added G2_CIPSI_VDZ_PBE_valence.dat 2019-03-15 16:30:46 +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
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
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
Emmanuel Giner
7a413dc9d3 added data_HF_LDA_VDZ 2019-02-28 13:43:25 +01:00