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57157bf151
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new graph
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2019-04-13 21:49:32 +02:00 |
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9055ee1ad2
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data
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2019-04-06 20:27:44 +02:00 |
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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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0686743820
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refs
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2019-03-22 17:20:33 +01:00 |
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1553a2f306
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refs
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2019-03-22 15:34:15 +01:00 |
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Emmanuel Giner
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6e1c6195e4
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Merge branch 'master' of https://github.com/pfloos/srDFT_G2
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2019-03-21 22:56:37 +01:00 |
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Emmanuel Giner
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644a96a5ee
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redone the G2_CIPSI_VDZ_PBE_new.dat G2_CIPSI_VDZ_PBE_new_valence.dat
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2019-03-21 22:56:26 +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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Emmanuel Giner
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85e276b741
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added data_very_last
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2019-03-21 22:26:53 +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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a22ec1b655
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graphs
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2019-03-21 17:54:36 +01:00 |
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ab6ba6f427
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Merge branch 'master' of github.com:pfloos/srDFT_G2
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2019-03-21 17:41:43 +01:00 |
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eginer
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ed30db5b81
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Merge branch 'master' of https://github.com/pfloos/srDFT_G2
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2019-03-21 17:42:17 +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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c11419b465
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graphs
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2019-03-21 17:41:29 +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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56b5e69294
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graphs
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2019-03-21 17:35:21 +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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0aaf7328e3
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tatable
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2019-03-18 14:54:18 +01:00 |
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b462c377c3
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VTZ graph
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2019-03-17 09:13:32 +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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5a5fe9f129
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graphs
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2019-03-15 17:50:39 +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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73bbf81569
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new graph
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2019-03-13 18:25:09 +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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1affba101e
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graphs with PBE
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2019-03-06 21:32:16 +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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d473c3aa67
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graphs for Manu
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2019-03-02 15:34:15 +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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db1aeeee0d
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data plain CIPSI
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2019-02-28 14:16:20 +01:00 |
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286a3b4144
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nb
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2019-02-28 14:08:23 +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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Emmanuel Giner
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4b575a7bf0
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added final data
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2018-12-19 14:26:23 +01:00 |
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Emmanuel Giner
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5c0321dfbf
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data_VTZ/
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2018-12-19 12:49:56 +01:00 |
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Emmanuel Giner
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f5bec72ba0
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adde data_sr_dft_new/
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2018-12-19 12:47:52 +01:00 |
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Emmanuel Giner
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cd437fca20
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Na Li
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2018-12-19 12:10:16 +01:00 |
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Emmanuel Giner
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b43ee92009
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added data_VDZ/ data_VTZ/
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2018-12-19 11:48:30 +01:00 |
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Pierre-Francois Loos
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813602bcf6
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Initial commit
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2018-12-04 15:15:01 +01:00 |
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