loos/srDFT_G2
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srDFT_G2/Data/data_last
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Pierre-Francois Loos 0ae081b20b g09 input
2019-03-25 22:30:19 +01:00
..
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
g09 input
2019-03-25 22:30:19 +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
g09 input
2019-03-25 22:30:19 +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_new_valence.dat
renamed
2019-03-21 18:02:32 +01:00
G2_CIPSI_VDZ_PBE_new.dat
renamed
2019-03-21 18:02:32 +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_new_valence.dat
renamed
2019-03-21 18:02:32 +01:00
G2_CIPSI_VTZ_PBE_new.dat
renamed
2019-03-21 18:02:32 +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