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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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dc2368a6ae
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updated Manuscript
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2019-03-21 17:29:12 +01:00 |
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eginer
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f619747256
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updated Manuscript
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2019-03-21 16:55:21 +01:00 |
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eginer
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775facf4e8
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updated G2-srDFT.tex
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2019-03-21 16:27:59 +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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eginer
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3f1f0eaac9
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added delta_e.eps
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2019-03-19 18:52:57 +01:00 |
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eginer
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9ec15fce5a
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added stuff to plot
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2019-03-19 16:10:19 +01:00 |
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Emmanuel Giner
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c3d389872a
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added files to plot on N2
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2019-03-19 01:30:34 +01:00 |
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Emmanuel Giner
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fc2e8b2e7e
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modified F2
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2019-03-18 23:33:19 +01:00 |
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Emmanuel Giner
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304de116ba
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modified F2
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2019-03-18 23:29:47 +01:00 |
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05ba2e8a17
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tatable
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2019-03-18 15:17:17 +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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cc262e3d48
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updated v5z F2
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2019-03-17 00:34:12 +01:00 |
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Emmanuel Giner
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a3dadc4f7c
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updated pdf
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2019-03-17 00:18:56 +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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Emmanuel Giner
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8efb1e3f73
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Merge branch 'master' of https://github.com/pfloos/srDFT_G2
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2019-03-17 00:10:49 +01:00 |
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eginer
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696f155612
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Merge branch 'master' of https://github.com/pfloos/srDFT_G2
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2019-03-15 19:01:04 +01:00 |
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eginer
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a2962ed550
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F2 of until VQZ
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2019-03-15 19:00:53 +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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eginer
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a491ffb731
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modified manuscript
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2019-03-15 15:54:09 +01:00 |
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Emmanuel Giner
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6a8a4a4a72
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corrected PBE for C2
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2019-03-15 10:52:00 +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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a35095f04a
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references
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2019-03-06 21:53:50 +01:00 |
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6d1af03d9b
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new references
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2019-03-06 21:46:58 +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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