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d93fbcb591
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add optimization in BSE@GW
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2023-07-10 11:36:45 +02:00 |
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2fc348ebe4
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qsGTeh
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2023-07-04 09:27:35 +02:00 |
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b701886e5c
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fix 2 bugs en GTeh
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2023-07-04 08:29:16 +02:00 |
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1110cd6319
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evGTeh
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2023-07-03 23:15:07 +02:00 |
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af5d4f4226
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fixing antoine
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2023-07-02 16:21:14 +02:00 |
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Antoine Marie
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545b5fb5e2
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trying to fix diverging version
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2023-06-30 16:47:26 +02:00 |
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a8a8218798
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ok with ehGT
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2023-06-29 20:46:47 +02:00 |
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f5d6971e1f
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experimental files
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2023-06-29 18:54:00 +02:00 |
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f998fb3a13
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remove self-screening correction
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2023-04-12 22:29:10 +02:00 |
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Antoine Marie
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78cefb5759
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fix conflicts
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2023-03-14 14:15:00 +01:00 |
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Antoine Marie
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1b0eaf2fba
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add SRG in input
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2023-03-14 14:13:33 +01:00 |
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a1b4abf10a
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fix bug in BSE2@GW
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2023-03-13 10:10:40 +01:00 |
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c130e3a352
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fix bug in CCGW
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2022-12-06 09:15:32 +01:00 |
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bdbd201d6c
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remove MP2F12
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2022-12-01 09:42:23 +01:00 |
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196e4c917a
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introduce SRG regularizer in GF, GW, and GT and add option for reg MP2
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2022-11-30 17:18:51 +01:00 |
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733e2794ec
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BeO
|
2022-11-29 16:01:02 +01:00 |
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76a3b9cfff
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SRG qsGW
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2022-11-29 12:11:09 +01:00 |
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2a46cc4617
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remove old methods and options
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2022-11-29 09:54:18 +01:00 |
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d2082f55f8
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implementation of BSE2@GW
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2022-11-28 15:05:29 +01:00 |
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5a561e0ed9
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update eDFT module
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2022-11-28 10:52:06 +01:00 |
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68d95544ae
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clean up QuAcK
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2022-11-08 15:38:46 +01:00 |
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b5499435ae
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numgrid install problem
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2022-10-20 16:20:59 +02:00 |
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37030fe797
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CCGW
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2022-10-13 21:20:37 +02:00 |
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f9497363b2
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CCGW
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2022-09-29 16:01:02 +02:00 |
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96621bd038
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adding routines for MBPT vs CC
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2022-09-28 16:09:09 +02:00 |
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69bab74d81
|
EE-EOM-CCD
|
2022-09-27 16:43:24 +02:00 |
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1f2f6634bb
|
DIP- and DEA-EOM-CCD
|
2022-09-27 14:07:31 +02:00 |
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68008e5738
|
working on ppBSE@GT
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2022-09-09 21:48:50 +02:00 |
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93564f350d
|
ppBSE@G0W0
|
2022-08-17 14:32:14 +02:00 |
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20264ca56c
|
fix bug in iterative dynamic correction
|
2022-08-15 09:49:57 +02:00 |
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f8880b24e1
|
qsUGT still not working
|
2022-02-25 11:33:13 +01:00 |
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9f2bb3ba7d
|
qsUGT
|
2022-02-25 09:40:39 +01:00 |
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cb0054c441
|
changed cutoff in ufG0W0
|
2022-02-18 16:29:17 +01:00 |
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a878fc6e3b
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UG0T0
|
2022-02-16 21:27:35 +01:00 |
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0b4abc2d91
|
fix merge
|
2022-02-15 20:15:21 +01:00 |
|
Pierre-Francois Loos
|
1dea272863
|
commit before enzo pull
|
2022-02-15 20:14:01 +01:00 |
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ab27723b51
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UG0T0
|
2022-02-15 14:08:11 +01:00 |
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86f501cb78
|
ppURPA
|
2022-02-15 13:51:18 +01:00 |
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d4c50fa39e
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print_UG0T0.f90
|
2022-02-08 13:45:13 +01:00 |
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2325131fb0
|
UG0T0
|
2022-02-07 10:46:43 +01:00 |
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21c1ceb975
|
fix ACFDT for Tmatrix
|
2022-02-03 10:05:58 +01:00 |
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03f41ef20c
|
level shift and proper guess
|
2022-02-02 15:06:51 +01:00 |
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a1e81ab7e5
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clean BSE2
|
2022-02-01 11:42:31 +01:00 |
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eca248d34d
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remove print
|
2022-01-31 13:41:07 +01:00 |
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f7718c8ab1
|
clean linear response and static BSE2 kernel
|
2022-01-31 13:19:42 +01:00 |
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0924ce1b3d
|
clean ppURPA
|
2022-01-29 11:47:35 +01:00 |
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df5345e570
|
spinorbital BSE@G0T0
|
2022-01-26 13:05:16 +01:00 |
|
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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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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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 |
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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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|
|
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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|
|
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 |
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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 |
|
|
|
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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|
|
3d3806da64
|
ppURPA
|
2021-12-13 14:28:05 +01:00 |
|
|
|
1dfee1e9fa
|
set Fermi energy to zero in pp
|
2021-12-13 11:40:16 +01:00 |
|
Clotilde Marut
|
363bc11fa8
|
debugging ind energy for VWN
|
2021-11-23 09:17:13 +01:00 |
|
|
|
c379b80eac
|
ACFDT for ppRPA
|
2021-11-18 13:34:08 +01:00 |
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|
|
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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|
|
3dfc2c3526
|
crossed ring CC and RPA working
|
2021-11-10 14:47:26 +01:00 |
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|
|
cec0fe9205
|
working on RPA third channel
|
2021-11-10 09:42:30 +01:00 |
|
|
|
e13c9866fb
|
fix bug in T matrix
|
2021-11-08 16:45:29 +01:00 |
|
|
|
388db3ca6e
|
HF individual energy working
|
2021-11-08 09:55:39 +01:00 |
|
|
|
ac5955ab27
|
fix print in CCSD
|
2021-11-06 14:36:54 +01:00 |
|
|
|
dc2f8b054c
|
fix bug in individual energies for VWN
|
2021-11-01 21:51:02 +01:00 |
|
|
|
95ae0073ee
|
properly included SOSEX (still probably bugged)
|
2021-10-26 18:45:49 +02:00 |
|
|
|
20281b2c8d
|
4-state eDFT
|
2021-10-25 12:20:25 +02:00 |
|
|
|
494204113b
|
new version of SOSEX (need serious debugging)
|
2021-10-22 21:10:31 +02:00 |
|
|
|
c4ac7f69e6
|
safer but slower orthogonalization in pp-RPA
|
2021-10-21 22:40:20 +02:00 |
|
|
|
7fd40afee5
|
ufBSE
|
2021-10-19 18:07:44 +02:00 |
|
|
|
22aeccb222
|
TDA in pp-RPA and GT
|
2021-10-18 22:05:26 +02:00 |
|
|
|
6f11f0909f
|
clean up pp-RPA
|
2021-10-18 21:41:03 +02:00 |
|
|
|
27181b85e4
|
adding ufGW to methods
|
2021-10-18 21:11:01 +02:00 |
|
|
|
75b35bf3dd
|
adding Z in ufGW
|
2021-10-18 15:05:01 +02:00 |
|
|
|
58044a8a89
|
OK for ufGW
|
2021-10-18 14:14:46 +02:00 |
|
|
|
90a3570323
|
evGT
|
2021-10-17 23:04:22 +02:00 |
|
|
|
e66405fa6d
|
making Hubbard works
|
2021-10-15 19:30:00 +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 |
|
|
|
9eca749bce
|
qsGW
|
2021-06-25 10:19:42 +02:00 |
|
