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19c8e44739
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fix bug in UG0F2 and evUGF2
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2021-10-04 16:41:09 +02:00 |
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35f1ba916b
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fix bug in evGT
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2021-09-27 15:57:26 +02:00 |
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ab45790280
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correcting printing error in G0W0
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2021-09-09 15:10:19 +02:00 |
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3349b92e55
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add G0T0
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2021-07-06 11:57:13 +02:00 |
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9eca749bce
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qsGW
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2021-06-25 10:19:42 +02:00 |
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e77365c593
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MOM
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2021-05-19 15:15:31 +02:00 |
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378bfd9356
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RMOM
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2021-05-19 15:11:44 +02:00 |
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5e6e95b887
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update before antoine mess
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2021-05-19 14:50:25 +02:00 |
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4cd96d2aa4
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OK for RPA/RPAx/GW
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2021-04-02 09:53:23 +02:00 |
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78b0f7abb9
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fix bug in URPAx
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2021-04-01 22:54:23 +02:00 |
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6d590f237f
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fix bug in URPA
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2021-04-01 22:04:23 +02:00 |
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80c77efe47
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qsGF print
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2021-03-27 15:06:51 +01:00 |
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246f4dea48
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add G0W0
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2021-03-27 15:04:18 +01:00 |
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114ac2d1d1
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debug qsGW and qsGF
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2021-03-27 15:03:54 +01:00 |
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210314bcd0
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fix bug in print qsUGF2
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2021-03-25 16:01:06 +01:00 |
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372a1a3b0e
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dipole in UKS
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2021-03-25 11:05:56 +01:00 |
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ed2992bc85
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clean up qsGW print
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2021-03-23 22:35:46 +01:00 |
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d01e7c248c
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debug qsGF2/qsUGF2
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2021-03-23 19:50:46 +01:00 |
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b5a28cca0d
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EcGM
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2021-03-15 15:43:51 +01:00 |
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dd568d8806
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evUGF2
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2021-03-08 20:09:54 +01:00 |
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72470287f7
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UG0F2
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2021-03-08 17:00:05 +01:00 |
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2d826d0f1e
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working on qsUGF2
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2021-03-07 23:04:47 +01:00 |
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29ed74cba0
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qsUGF2
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2021-03-07 22:44:37 +01:00 |
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533e88e8fa
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qsUGF2
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2021-03-07 22:19:42 +01:00 |
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3ced7a8846
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GF move
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2021-03-07 17:17:18 +01:00 |
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7fd5abe76f
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clean up GM again
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2021-03-06 23:08:43 +01:00 |
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96fa82931d
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GF2 clean up
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2021-03-06 15:27:35 +01:00 |
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ab7cf0401e
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qsGF2
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2021-03-05 22:34:48 +01:00 |
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cecaf03c57
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static screening
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2021-03-05 17:29:52 +01:00 |
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013fff95b6
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fix bug RPAx
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2021-03-04 15:09:56 +01:00 |
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3d1da67d33
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fix bug
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2021-03-04 15:07:39 +01:00 |
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6daf1dd5ab
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fix bug
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2021-03-04 15:07:01 +01:00 |
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eeadbf5c55
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fix bug
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2021-03-04 15:06:16 +01:00 |
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75ec2443c1
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stability analysis
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2021-03-03 11:37:46 +01:00 |
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1a33dde2ab
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remove libxc
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2021-03-01 15:03:44 +01:00 |
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7c1304af91
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UPBE
|
2021-03-01 15:01:47 +01:00 |
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5f55c1af4d
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fixing up qsGW Ec
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2021-03-01 14:55:29 +01:00 |
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a7594c270a
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UPBE
|
2021-02-26 09:55:10 +01:00 |
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a594e0fa7c
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PW92
|
2021-02-25 15:02:35 +01:00 |
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622cf19331
|
potental PW92
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2021-02-25 15:02:16 +01:00 |
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272e47ed27
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UVWN3 for Gaussian B3LYP
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2021-02-25 10:55:08 +01:00 |
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ede8862d67
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fix bug in T matrix
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2021-02-16 10:00:01 +01:00 |
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6e82622670
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make UKS easier
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2021-02-15 22:31:41 +01:00 |
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ba7a2349af
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fix QP graph
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2021-02-15 22:15:30 +01:00 |
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a2155a4ae6
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T-matrix with KS starting point
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2021-02-15 22:00:19 +01:00 |
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144b5904cb
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fix small bug
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2021-02-15 21:44:24 +01:00 |
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0f28af6d50
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Vxc in GW
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2021-02-15 17:27:06 +01:00 |
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de4927aad4
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hybrids
|
2021-02-14 22:52:17 +01:00 |
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722d74ae17
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fix KS
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2021-02-14 22:24:52 +01:00 |
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da8c1c691e
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B3LYP works
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2021-02-14 21:54:10 +01:00 |
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