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0ae081b20b
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g09 input
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2019-03-25 22:30:19 +01:00 |
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2b96f19e7c
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graphs
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2019-03-21 22:41:40 +01:00 |
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eginer
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15b4427308
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renamed
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2019-03-21 18:02:32 +01:00 |
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eginer
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05ab62d20f
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added all G2 at CIPSI + RHF basis
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2019-03-21 17:42:05 +01:00 |
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eginer
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a358446a5d
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added G2_HF_VDZ_LDA_valence.dat G2_HF_VDZ_LDA.dat
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2019-03-21 17:37:37 +01:00 |
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eginer
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33f9d9388a
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added G2_CIPSI_VTZ_pbe_valence.dat G2_CIPSI_VTZ_pbe.dat
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2019-03-21 16:20:32 +01:00 |
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eginer
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0f8d6f2da5
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added G2_CIPSI_VDZ_pbe.dat G2_CIPSI_VDZ_pbe_valence.dat
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2019-03-21 16:18:17 +01:00 |
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Emmanuel Giner
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3bf2c4d159
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added G2_CIPSI_VTZ_PBE_valence.dat
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2019-03-17 00:15:52 +01:00 |
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eginer
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785556ed33
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added G2_CIPSI_VDZ_PBE_valence.dat
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2019-03-15 16:30:46 +01:00 |
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eginer
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cc437f7420
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G2_CIPSI_VTZ_PBE_valence.dat and G2_CIPSI_VTZ_PBE.dat are OK
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2019-03-13 17:36:13 +01:00 |
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eginer
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49bf9b0e88
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data_HF_PBE_VTZ is OK
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2019-03-13 17:34:44 +01:00 |
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eginer
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444e9b8fc8
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new data
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2019-03-13 12:31:31 +01:00 |
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Emmanuel Giner
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20c3de0acf
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good G2 data in VTZ
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2019-03-13 11:21:30 +01:00 |
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eginer
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c9be3e2cec
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added G2_CIPSI_VDZ_PBE.dat G2_CIPSI_VDZ_PBE_valence.dat
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2019-03-06 17:18:56 +01:00 |
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eginer
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1dabe9bb40
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added G2_CIPSI_VTZ_PBE.dat G2_CIPSI_VTZ_PBE_valence.dat
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2019-03-05 14:05:33 +01:00 |
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eginer
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eeeecd7bff
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added data_HF_PBE_VDZ data_HF_PBE_VTZ
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2019-03-05 14:02:54 +01:00 |
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eginer
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7e7c511c14
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added G2 data for LDA HF and valence
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2019-03-02 14:51:20 +01:00 |
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Emmanuel Giner
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cd405be0ed
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beginning to script data
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2019-03-01 01:54:10 +01:00 |
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Emmanuel Giner
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7a413dc9d3
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added data_HF_LDA_VDZ
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2019-02-28 13:43:25 +01:00 |
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