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15a04fd253
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merge with Clotilde
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2022-02-07 10:48:46 +01:00 |
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036c8bda26
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merge with Clotilde
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2022-02-07 10:48:22 +01:00 |
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60e12c091a
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Merge branch 'master' of https://github.com/pfloos/QuAcK
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2022-02-07 10:47:03 +01:00 |
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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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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
|
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
|
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 |
|
Pierre-Francois Loos
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0f7cde9766
|
fix bug in eDFT rcond not initialized
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2022-01-24 10:29:27 +01:00 |
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0196fc3a4e
|
fix bug in UHF
|
2022-01-17 15:12:45 +01:00 |
|
Pierre-Francois Loos
|
16431bcd33
|
ufG0W0
|
2022-01-17 08:02:11 +01:00 |
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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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695b407335
|
OK with BSE@GT
|
2022-01-09 23:12:21 +01:00 |
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d790d95c4d
|
fix bugs in print in UKS
|
2022-01-08 13:59:45 +01:00 |
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41d160d1d6
|
fix sign in GM@GT
|
2022-01-07 15:14:00 +01:00 |
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909777c458
|
rename routine in HF
|
2022-01-07 09:56:30 +01:00 |
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0cdf014817
|
fix bug GM@GT
|
2022-01-07 09:37:11 +01:00 |
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|
|
16066f96d8
|
rename routines in eDFT
|
2022-01-07 09:13:38 +01:00 |
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|
|
c21864c34c
|
regularized self-energy in qsGW and evGW
|
2022-01-06 22:02:10 +01:00 |
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|
|
3d4ef5bece
|
fix bug in GF
|
2022-01-06 21:41:12 +01:00 |
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|
|
e1f67c94d4
|
GM in GT
|
2022-01-06 13:48:15 +01:00 |
|
Clotilde Marut
|
3c39e0aa3a
|
fix conflicts
|
2022-01-06 11:20:49 +01:00 |
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|
|
94a4a2937c
|
fix probleme HOMO/LUMO
|
2022-01-06 11:18:34 +01:00 |
|
Clotilde Marut
|
2c86a41d0d
|
safety commit
|
2022-01-06 11:18:07 +01:00 |
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|
|
310f4ab132
|
problem print HOMO/LUMO
|
2022-01-06 10:23:48 +01:00 |
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|
|
3ecf94bbc9
|
debugging BSE@GT
|
2022-01-05 12:46:59 +01:00 |
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f6270a0ba5
|
CID and CISD
|
2022-01-04 11:39:33 +01:00 |
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|
3cf1159cf0
|
unrestricted boolean in QuAcK
|
2022-01-02 17:14:10 +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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|
|
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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|
|
02f7a03385
|
regularized GF2
|
2021-12-17 13:36:26 +01:00 |
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|
|
203ce9541c
|
regularized GW
|
2021-12-17 11:41:40 +01:00 |
|
Clotilde Marut
|
187c8a791c
|
Merge branch 'master' of github.com:pfloos/quack
|
2021-12-16 21:43:35 +01:00 |
|
Clotilde Marut
|
2b58358681
|
eDFT code OK
|
2021-12-16 21:42:58 +01:00 |
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|
|
d24b729fc3
|
regularized GW
|
2021-12-16 15:19:44 +01:00 |
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|
|
50d22777e9
|
regularized MP2
|
2021-12-16 14:25:09 +01:00 |
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|
|
e006fb5a01
|
regularized MP2
|
2021-12-16 14:24:02 +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 |
|
|
|
3d3806da64
|
ppURPA
|
2021-12-13 14:28:05 +01:00 |
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|
|
1dfee1e9fa
|
set Fermi energy to zero in pp
|
2021-12-13 11:40:16 +01:00 |
|
