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a878fc6e3b
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UG0T0
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2022-02-16 21:27:35 +01:00 |
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d922666173
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UG0T0
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2022-02-08 11:57:15 +01:00 |
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Clotilde Marut
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82fd7c5fb4
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merge with T2
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2022-02-07 10:45:18 +01:00 |
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Clotilde Marut
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5b436558ed
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CC-B88 kappa in DD and many other things
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2022-02-07 10:40:50 +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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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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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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41d160d1d6
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fix sign in GM@GT
|
2022-01-07 15:14:00 +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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e1f67c94d4
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GM in GT
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2022-01-06 13:48:15 +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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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
|
2021-12-21 13:49:41 +01:00 |
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203ce9541c
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regularized GW
|
2021-12-17 11:41:40 +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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1dfee1e9fa
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set Fermi energy to zero in pp
|
2021-12-13 11:40:16 +01:00 |
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aadf942f83
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curvature corrected functional revisited
|
2021-11-24 10:25:48 +01:00 |
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23d7d83091
|
working on ACFDT for T-matrix
|
2021-11-10 22:41:40 +01:00 |
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cec0fe9205
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working on RPA third channel
|
2021-11-10 09:42:30 +01:00 |
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388db3ca6e
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HF individual energy working
|
2021-11-08 09:55:39 +01:00 |
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ac5955ab27
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fix print in CCSD
|
2021-11-06 14:36:54 +01:00 |
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954a33d07f
|
fix bug
|
2021-10-26 11:42:50 +02:00 |
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c4ac7f69e6
|
safer but slower orthogonalization in pp-RPA
|
2021-10-21 22:40:20 +02:00 |
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afdf87dc58
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OK for Hubbard
|
2021-10-15 21:01:56 +02:00 |
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e66405fa6d
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making Hubbard works
|
2021-10-15 19:30:00 +02:00 |
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35f1ba916b
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fix bug in evGT
|
2021-09-27 15:57:26 +02:00 |
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ab45790280
|
correcting printing error in G0W0
|
2021-09-09 15:10:19 +02:00 |
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9eca749bce
|
qsGW
|
2021-06-25 10:19:42 +02:00 |
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5e6e95b887
|
update before antoine mess
|
2021-05-19 14:50:25 +02:00 |
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6d590f237f
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fix bug in URPA
|
2021-04-01 22:04:23 +02:00 |
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114ac2d1d1
|
debug qsGW and qsGF
|
2021-03-27 15:03:54 +01:00 |
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372a1a3b0e
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dipole in UKS
|
2021-03-25 11:05:56 +01:00 |
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ed2992bc85
|
clean up qsGW print
|
2021-03-23 22:35:46 +01:00 |
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72470287f7
|
UG0F2
|
2021-03-08 17:00:05 +01:00 |
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ab7cf0401e
|
qsGF2
|
2021-03-05 22:34:48 +01:00 |
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cecaf03c57
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static screening
|
2021-03-05 17:29:52 +01:00 |
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75ec2443c1
|
stability analysis
|
2021-03-03 11:37:46 +01:00 |
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a7594c270a
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UPBE
|
2021-02-26 09:55:10 +01:00 |
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5dd286aa43
|
PBE exchange
|
2021-02-11 22:32:48 +01:00 |
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96e3dfe5e0
|
guess mix in eDFT
|
2021-01-31 23:24:25 +01:00 |
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e1bb48eac8
|
fix eDFT for fractional spin
|
2021-01-26 21:28:05 +01:00 |
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e793ceaeca
|
BCCD start
|
2021-01-05 15:51:52 +01:00 |
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e0a28f71bd
|
print qsUGW
|
2020-12-10 09:19:58 +01:00 |
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5b4dd9982c
|
fix bug in pCC
|
2020-11-05 15:51:33 +01:00 |
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5df03b58ac
|
bug fix in qsUGW
|
2020-11-03 21:47:57 +01:00 |
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