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87d4c8ac9a
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fixing bug in BSE@GT
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2021-10-19 14:09:33 +02:00 |
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871e657d08
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AC@BSE@GT
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2021-10-18 23:12:43 +02:00 |
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22aeccb222
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TDA in pp-RPA and GT
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2021-10-18 22:05:26 +02:00 |
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6f11f0909f
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clean up pp-RPA
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2021-10-18 21:41:03 +02:00 |
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27181b85e4
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adding ufGW to methods
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2021-10-18 21:11:01 +02:00 |
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75b35bf3dd
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adding Z in ufGW
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2021-10-18 15:05:01 +02:00 |
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58044a8a89
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OK for ufGW
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2021-10-18 14:14:46 +02:00 |
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90a3570323
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evGT
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2021-10-17 23:04:22 +02:00 |
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af73b5bfdb
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saving debug
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2021-10-17 08:47:51 +02:00 |
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0fa90ab2a9
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OK for BSE@GT
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2021-10-16 15:34:34 +02:00 |
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afdf87dc58
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OK for Hubbard
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2021-10-15 21:01:56 +02:00 |
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e66405fa6d
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making Hubbard works
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2021-10-15 19:30:00 +02:00 |
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e6ae8b0001
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adding Ncentered for correlation
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2021-10-14 10:38:53 +02:00 |
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ba0e0c1731
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ispinloop
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2021-10-12 14:40:40 +02:00 |
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b24950b706
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bug in UG0F2
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2021-10-08 15:18:21 +02:00 |
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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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9eca749bce
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qsGW
|
2021-06-25 10:19:42 +02:00 |
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378bfd9356
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RMOM
|
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
|
2021-04-02 09:53:23 +02:00 |
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78b0f7abb9
|
fix bug in URPAx
|
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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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
|
dipole in UKS
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2021-03-25 11:05:56 +01:00 |
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ed2992bc85
|
clean up qsGW print
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2021-03-23 22:35:46 +01:00 |
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d01e7c248c
|
debug qsGF2/qsUGF2
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2021-03-23 19:50:46 +01:00 |
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dd568d8806
|
evUGF2
|
2021-03-08 20:09:54 +01:00 |
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72470287f7
|
UG0F2
|
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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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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ab7cf0401e
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qsGF2
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2021-03-05 22:34:48 +01:00 |
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cecaf03c57
|
static screening
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2021-03-05 17:29:52 +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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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
|
UPBE
|
2021-02-26 09:55:10 +01:00 |
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622cf19331
|
potental PW92
|
2021-02-25 15:02:16 +01:00 |
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272e47ed27
|
UVWN3 for Gaussian B3LYP
|
2021-02-25 10:55:08 +01:00 |
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ede8862d67
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fix bug in T matrix
|
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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144b5904cb
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fix small bug
|
2021-02-15 21:44:24 +01:00 |
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0f28af6d50
|
Vxc in GW
|
2021-02-15 17:27:06 +01:00 |
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de4927aad4
|
hybrids
|
2021-02-14 22:52:17 +01:00 |
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da8c1c691e
|
B3LYP works
|
2021-02-14 21:54:10 +01:00 |
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692962fac2
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fix bug
|
2021-02-13 22:48:32 +01:00 |
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337e801ecd
|
LYP done
|
2021-02-13 22:31:46 +01:00 |
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e505d6d1a2
|
potential for LYP done
|
2021-02-13 16:06:38 +01:00 |
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44dfbef766
|
OK with GGA exchange functionals
|
2021-02-12 16:47:40 +01:00 |
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