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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eginer
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528e0f0b8a
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Merge branch 'master' of https://github.com/pfloos/srDFT_G2
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2019-03-01 18:44:29 +01:00 |
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eginer
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38ec202be1
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data with no bugs :)
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2019-03-01 18:44:19 +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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e904673df2
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added tab for C2
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2019-02-28 13:00:33 +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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35d2a5bc47
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fixed conflicts
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2018-12-19 11:53:48 +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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eginer
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d8efcb955f
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added data G2 VDZ
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2018-12-13 20:27:45 +01:00 |
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eginer
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db6c20b3b9
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added all data for G2 in VTZ and VDZ
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2018-12-11 17:16:45 +01:00 |
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Emmanuel Giner
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d78733a591
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added data on G2 VDZ
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2018-12-06 09:15:07 +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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453df6b5b6
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Initial commit
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2018-12-04 15:13:53 +01:00 |
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