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f7718c8ab1
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clean linear response and static BSE2 kernel
|
2022-01-31 13:19:42 +01:00 |
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|
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0924ce1b3d
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clean ppURPA
|
2022-01-29 11:47:35 +01:00 |
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|
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df5345e570
|
spinorbital BSE@G0T0
|
2022-01-26 13:05:16 +01:00 |
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Pierre-Francois Loos
|
0f7cde9766
|
fix bug in eDFT rcond not initialized
|
2022-01-24 10:29:27 +01:00 |
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|
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96e4f15aeb
|
B part of dBSE@GT
|
2022-01-12 09:17:39 +01:00 |
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fc0f9bb5f0
|
dynamic BSE@GT
|
2022-01-11 15:23:43 +01:00 |
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|
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695b407335
|
OK with BSE@GT
|
2022-01-09 23:12:21 +01:00 |
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|
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41d160d1d6
|
fix sign in GM@GT
|
2022-01-07 15:14:00 +01:00 |
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|
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16066f96d8
|
rename routines in eDFT
|
2022-01-07 09:13:38 +01:00 |
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|
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e1f67c94d4
|
GM in GT
|
2022-01-06 13:48:15 +01:00 |
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|
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3ecf94bbc9
|
debugging BSE@GT
|
2022-01-05 12:46:59 +01:00 |
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|
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f6270a0ba5
|
CID and CISD
|
2022-01-04 11:39:33 +01:00 |
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c7d353de18
|
rename files in GT
|
2022-01-02 10:25:19 +01:00 |
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|
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97c274a4f1
|
rename files in GT
|
2022-01-02 10:24:30 +01:00 |
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|
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d6ee3863da
|
ppURPA
|
2021-12-31 12:49:13 +01:00 |
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|
|
2a5d6892b8
|
BSE@GT potentially correct
|
2021-12-21 13:49:41 +01:00 |
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|
|
de2c45ab70
|
fix bug
|
2021-12-17 15:42:16 +01:00 |
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|
|
203ce9541c
|
regularized GW
|
2021-12-17 11:41:40 +01:00 |
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|
|
d24b729fc3
|
regularized GW
|
2021-12-16 15:19:44 +01:00 |
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|
|
55187b39c4
|
ppURPA updates
|
2021-12-16 12:28:28 +01:00 |
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|
|
5d5824ce14
|
ppURPA
|
2021-12-15 11:41:06 +01:00 |
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|
|
1dfee1e9fa
|
set Fermi energy to zero in pp
|
2021-12-13 11:40:16 +01:00 |
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|
|
aadf942f83
|
curvature corrected functional revisited
|
2021-11-24 10:25:48 +01:00 |
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|
|
c379b80eac
|
ACFDT for ppRPA
|
2021-11-18 13:34:08 +01:00 |
|
|
|
6f886a61a6
|
crossed ring ACFDT
|
2021-11-10 22:53:50 +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
|
working on RPA third channel
|
2021-11-10 09:42:30 +01:00 |
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|
|
388db3ca6e
|
HF individual energy working
|
2021-11-08 09:55:39 +01:00 |
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|
|
ac5955ab27
|
fix print in CCSD
|
2021-11-06 14:36:54 +01:00 |
|
|
|
95ae0073ee
|
properly included SOSEX (still probably bugged)
|
2021-10-26 18:45:49 +02:00 |
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|
|
494204113b
|
new version of SOSEX (need serious debugging)
|
2021-10-22 21:10:31 +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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|
|
7fd40afee5
|
ufBSE
|
2021-10-19 18:07:44 +02:00 |
|
|
|
87d4c8ac9a
|
fixing bug in BSE@GT
|
2021-10-19 14:09:33 +02:00 |
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|
|
871e657d08
|
AC@BSE@GT
|
2021-10-18 23:12:43 +02:00 |
|
|
|
6f11f0909f
|
clean up pp-RPA
|
2021-10-18 21:41:03 +02:00 |
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|
|
75b35bf3dd
|
adding Z in ufGW
|
2021-10-18 15:05:01 +02:00 |
|
|
|
90a3570323
|
evGT
|
2021-10-17 23:04:22 +02:00 |
|
|
|
af73b5bfdb
|
saving debug
|
2021-10-17 08:47:51 +02:00 |
|
|
|
0fa90ab2a9
|
OK for BSE@GT
|
2021-10-16 15:34:34 +02:00 |
|
|
|
e66405fa6d
|
making Hubbard works
|
2021-10-15 19:30:00 +02:00 |
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|
|
ba0e0c1731
|
ispinloop
|
2021-10-12 14:40:40 +02:00 |
|
|
|
b24950b706
|
bug in UG0F2
|
2021-10-08 15:18:21 +02:00 |
|
|
|
19c8e44739
|
fix bug in UG0F2 and evUGF2
|
2021-10-04 16:41:09 +02:00 |
|
|
|
35f1ba916b
|
fix bug in evGT
|
2021-09-27 15:57:26 +02:00 |
|
|
|
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 |
|
|
|
5e6e95b887
|
update before antoine mess
|
2021-05-19 14:50:25 +02:00 |
|
|
|
4cd96d2aa4
|
OK for RPA/RPAx/GW
|
2021-04-02 09:53:23 +02:00 |
|
|
|
78b0f7abb9
|
fix bug in URPAx
|
2021-04-01 22:54:23 +02:00 |
|
