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2325131fb0
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UG0T0
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2022-02-07 10:46:43 +01:00 |
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21c1ceb975
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fix ACFDT for Tmatrix
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2022-02-03 10:05:58 +01:00 |
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03f41ef20c
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level shift and proper guess
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2022-02-02 15:06:51 +01:00 |
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a1e81ab7e5
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clean BSE2
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2022-02-01 11:42:31 +01:00 |
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eca248d34d
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remove print
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2022-01-31 13:41:07 +01:00 |
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f7718c8ab1
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clean linear response and static BSE2 kernel
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2022-01-31 13:19:42 +01:00 |
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0924ce1b3d
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clean ppURPA
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2022-01-29 11:47:35 +01:00 |
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df5345e570
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spinorbital BSE@G0T0
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2022-01-26 13:05:16 +01:00 |
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Pierre-Francois Loos
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0f7cde9766
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fix bug in eDFT rcond not initialized
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2022-01-24 10:29:27 +01:00 |
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0196fc3a4e
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fix bug in UHF
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2022-01-17 15:12:45 +01:00 |
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Pierre-Francois Loos
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16431bcd33
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ufG0W0
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2022-01-17 08:02:11 +01:00 |
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96e4f15aeb
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B part of dBSE@GT
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2022-01-12 09:17:39 +01:00 |
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fc0f9bb5f0
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dynamic BSE@GT
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2022-01-11 15:23:43 +01:00 |
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d790d95c4d
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fix bugs in print in UKS
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2022-01-08 13:59:45 +01:00 |
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41d160d1d6
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fix sign in GM@GT
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2022-01-07 15:14:00 +01:00 |
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909777c458
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rename routine in HF
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2022-01-07 09:56:30 +01:00 |
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0cdf014817
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fix bug GM@GT
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2022-01-07 09:37:11 +01:00 |
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16066f96d8
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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c21864c34c
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regularized self-energy in qsGW and evGW
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2022-01-06 22:02:10 +01:00 |
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3d4ef5bece
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fix bug in GF
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2022-01-06 21:41:12 +01:00 |
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e1f67c94d4
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GM in GT
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2022-01-06 13:48:15 +01:00 |
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310f4ab132
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problem print HOMO/LUMO
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2022-01-06 10:23:48 +01:00 |
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3ecf94bbc9
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debugging BSE@GT
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2022-01-05 12:46:59 +01:00 |
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f6270a0ba5
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CID and CISD
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2022-01-04 11:39:33 +01:00 |
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3cf1159cf0
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unrestricted boolean in QuAcK
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2022-01-02 17:14:10 +01:00 |
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d6ee3863da
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ppURPA
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2021-12-31 12:49:13 +01:00 |
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2a5d6892b8
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BSE@GT potentially correct
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2021-12-21 13:49:41 +01:00 |
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02f7a03385
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regularized GF2
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2021-12-17 13:36:26 +01:00 |
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203ce9541c
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regularized GW
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2021-12-17 11:41:40 +01:00 |
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d24b729fc3
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regularized GW
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2021-12-16 15:19:44 +01:00 |
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50d22777e9
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regularized MP2
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2021-12-16 14:25:09 +01:00 |
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e006fb5a01
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regularized MP2
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2021-12-16 14:24:02 +01:00 |
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55187b39c4
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ppURPA updates
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2021-12-16 12:28:28 +01:00 |
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5d5824ce14
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ppURPA
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2021-12-15 11:41:06 +01:00 |
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3d3806da64
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ppURPA
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2021-12-13 14:28:05 +01:00 |
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1dfee1e9fa
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set Fermi energy to zero in pp
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2021-12-13 11:40:16 +01:00 |
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Clotilde Marut
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363bc11fa8
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debugging ind energy for VWN
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2021-11-23 09:17:13 +01:00 |
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c379b80eac
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ACFDT for ppRPA
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2021-11-18 13:34:08 +01:00 |
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6f886a61a6
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crossed ring ACFDT
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2021-11-10 22:53:50 +01:00 |
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23d7d83091
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working on ACFDT for T-matrix
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2021-11-10 22:41:40 +01:00 |
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3dfc2c3526
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crossed ring CC and RPA working
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2021-11-10 14:47:26 +01:00 |
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cec0fe9205
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working on RPA third channel
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2021-11-10 09:42:30 +01:00 |
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e13c9866fb
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fix bug in T matrix
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2021-11-08 16:45:29 +01:00 |
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388db3ca6e
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HF individual energy working
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2021-11-08 09:55:39 +01:00 |
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ac5955ab27
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fix print in CCSD
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2021-11-06 14:36:54 +01:00 |
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dc2f8b054c
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fix bug in individual energies for VWN
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2021-11-01 21:51:02 +01:00 |
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95ae0073ee
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properly included SOSEX (still probably bugged)
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2021-10-26 18:45:49 +02:00 |
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20281b2c8d
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4-state eDFT
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2021-10-25 12:20:25 +02:00 |
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494204113b
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new version of SOSEX (need serious debugging)
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2021-10-22 21:10:31 +02:00 |
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c4ac7f69e6
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safer but slower orthogonalization in pp-RPA
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2021-10-21 22:40:20 +02:00 |
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