| .. |
|
data_HF_HF_LDA_VDZ
|
added all G2 at CIPSI + RHF basis
|
2019-03-21 17:42:05 +01:00 |
|
data_HF_HF_LDA_VTZ
|
added all G2 at CIPSI + RHF basis
|
2019-03-21 17:42:05 +01:00 |
|
data_HF_HF_PBE_VDZ
|
added all G2 at CIPSI + RHF basis
|
2019-03-21 17:42:05 +01:00 |
|
data_HF_HF_PBE_VTZ
|
added all G2 at CIPSI + RHF basis
|
2019-03-21 17:42:05 +01:00 |
|
data_HF_LDA_VDZ
|
added G2 data for LDA HF and valence
|
2019-03-02 14:51:20 +01:00 |
|
data_HF_LDA_VTZ
|
added G2 data for LDA HF and valence
|
2019-03-02 14:51:20 +01:00 |
|
data_HF_pbe_VDZ
|
added all G2 at CIPSI + RHF basis
|
2019-03-21 17:42:05 +01:00 |
|
data_HF_PBE_VDZ
|
added G2_CIPSI_VDZ_PBE_valence.dat
|
2019-03-15 16:30:46 +01:00 |
|
data_HF_pbe_VTZ
|
added all G2 at CIPSI + RHF basis
|
2019-03-21 17:42:05 +01:00 |
|
data_HF_PBE_VTZ
|
added G2_CIPSI_VTZ_PBE_valence.dat
|
2019-03-17 00:15:52 +01:00 |
|
data.py
|
added all G2 at CIPSI + RHF basis
|
2019-03-21 17:42:05 +01:00 |
|
G2_CIPSI_VDZ_LDA_valence.dat
|
added G2 data for LDA HF and valence
|
2019-03-02 14:51:20 +01:00 |
|
G2_CIPSI_VDZ_LDA.dat
|
added G2 data for LDA HF and valence
|
2019-03-02 14:51:20 +01:00 |
|
G2_CIPSI_VDZ_pbe_valence.dat
|
added G2_CIPSI_VDZ_pbe.dat G2_CIPSI_VDZ_pbe_valence.dat
|
2019-03-21 16:18:17 +01:00 |
|
G2_CIPSI_VDZ_PBE_valence.dat
|
added G2_CIPSI_VDZ_PBE_valence.dat
|
2019-03-15 16:30:46 +01:00 |
|
G2_CIPSI_VDZ_pbe.dat
|
added G2_CIPSI_VDZ_pbe.dat G2_CIPSI_VDZ_pbe_valence.dat
|
2019-03-21 16:18:17 +01:00 |
|
G2_CIPSI_VDZ_PBE.dat
|
added G2_CIPSI_VDZ_PBE.dat G2_CIPSI_VDZ_PBE_valence.dat
|
2019-03-06 17:18:56 +01:00 |
|
G2_CIPSI_VTZ_LDA_valence.dat
|
added G2 data for LDA HF and valence
|
2019-03-02 14:51:20 +01:00 |
|
G2_CIPSI_VTZ_LDA.dat
|
added G2 data for LDA HF and valence
|
2019-03-02 14:51:20 +01:00 |
|
G2_CIPSI_VTZ_pbe_valence.dat
|
added G2_CIPSI_VTZ_pbe_valence.dat G2_CIPSI_VTZ_pbe.dat
|
2019-03-21 16:20:32 +01:00 |
|
G2_CIPSI_VTZ_PBE_valence.dat
|
added G2_CIPSI_VTZ_PBE_valence.dat
|
2019-03-17 00:15:52 +01:00 |
|
G2_CIPSI_VTZ_pbe.dat
|
added G2_CIPSI_VTZ_pbe_valence.dat G2_CIPSI_VTZ_pbe.dat
|
2019-03-21 16:20:32 +01:00 |
|
G2_CIPSI_VTZ_PBE.dat
|
G2_CIPSI_VTZ_PBE_valence.dat and G2_CIPSI_VTZ_PBE.dat are OK
|
2019-03-13 17:36:13 +01:00 |
|
G2_HF_VDZ_LDA_valence.dat
|
added G2_HF_VDZ_LDA_valence.dat G2_HF_VDZ_LDA.dat
|
2019-03-21 17:37:37 +01:00 |
|
G2_HF_VDZ_LDA.dat
|
added G2_HF_VDZ_LDA_valence.dat G2_HF_VDZ_LDA.dat
|
2019-03-21 17:37:37 +01:00 |
|
G2_HF_VDZ_PBE_valence.dat
|
added all G2 at CIPSI + RHF basis
|
2019-03-21 17:42:05 +01:00 |
|
G2_HF_VDZ_PBE.dat
|
added all G2 at CIPSI + RHF basis
|
2019-03-21 17:42:05 +01:00 |
|
G2_HF_VTZ_LDA_valence.dat
|
added all G2 at CIPSI + RHF basis
|
2019-03-21 17:42:05 +01:00 |
|
G2_HF_VTZ_LDA.dat
|
added all G2 at CIPSI + RHF basis
|
2019-03-21 17:42:05 +01:00 |
|
G2_HF_VTZ_PBE_valence.dat
|
added all G2 at CIPSI + RHF basis
|
2019-03-21 17:42:05 +01:00 |
|
G2_HF_VTZ_PBE.dat
|
added all G2 at CIPSI + RHF basis
|
2019-03-21 17:42:05 +01:00 |
