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09e04f3f53
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bug in qsGW
|
2023-07-22 11:49:06 +02:00 |
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b010c872fc
|
remove COHSEX completely
|
2023-07-21 22:54:53 +02:00 |
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34fb993302
|
clean up GTeh
|
2023-07-21 20:38:49 +02:00 |
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5660146de5
|
clean up GW and GT
|
2023-07-21 12:30:29 +02:00 |
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1d9725546d
|
fix bug in ppBSE
|
2023-07-21 12:00:08 +02:00 |
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|
|
d11bebafe1
|
fix bug in non-TDA dBSE@GW
|
2023-07-21 11:28:12 +02:00 |
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|
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6cc9802d00
|
include B term in phBSE2@GW
|
2023-07-21 11:18:00 +02:00 |
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d7e059c330
|
remove useless routines in dBSE@GW
|
2023-07-21 10:47:36 +02:00 |
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d8678bfe4f
|
fix bug in dBSE@GW
|
2023-07-21 10:45:10 +02:00 |
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46ab457dc2
|
remove evDyn and cleanup dBSE@GW
|
2023-07-21 10:21:54 +02:00 |
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3103f786d6
|
fix bug
|
2023-07-20 16:03:09 +02:00 |
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092a3f5e6d
|
OK with LR in RPA routines
|
2023-07-18 11:53:38 +02:00 |
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266be65f2e
|
OK for ppLR
|
2023-07-18 09:59:25 +02:00 |
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2c7653b7bc
|
add HF module
|
2023-07-17 13:35:24 +02:00 |
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ae540679cd
|
more renaming
|
2023-07-12 23:16:37 +02:00 |
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d207fb5173
|
renaming LR routines and fix bug in Z GW
|
2023-07-12 13:34:10 +02:00 |
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06df6109fa
|
add optimization in GT
|
2023-07-10 11:53:42 +02:00 |
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490dd13c0d
|
remove SOSEX
|
2023-07-04 10:37:54 +02:00 |
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812721e5d9
|
rename GTpp routines
|
2023-07-04 10:32:47 +02:00 |
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2fc348ebe4
|
qsGTeh
|
2023-07-04 09:27:35 +02:00 |
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b701886e5c
|
fix 2 bugs en GTeh
|
2023-07-04 08:29:16 +02:00 |
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|
af5d4f4226
|
fixing antoine
|
2023-07-02 16:21:14 +02:00 |
|
Antoine Marie
|
545b5fb5e2
|
trying to fix diverging version
|
2023-06-30 16:47:26 +02:00 |
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|
|
a8a8218798
|
ok with ehGT
|
2023-06-29 20:46:47 +02:00 |
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|
f5d6971e1f
|
experimental files
|
2023-06-29 18:54:00 +02:00 |
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|
|
f998fb3a13
|
remove self-screening correction
|
2023-04-12 22:29:10 +02:00 |
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|
|
a1b4abf10a
|
fix bug in BSE2@GW
|
2023-03-13 10:10:40 +01:00 |
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|
|
c130e3a352
|
fix bug in CCGW
|
2022-12-06 09:15:32 +01:00 |
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|
|
196e4c917a
|
introduce SRG regularizer in GF, GW, and GT and add option for reg MP2
|
2022-11-30 17:18:51 +01:00 |
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|
|
597c4a9885
|
getting rid of G0W and GW0
|
2022-11-30 16:41:43 +01:00 |
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|
|
733e2794ec
|
BeO
|
2022-11-29 16:01:02 +01:00 |
|
|
|
0b56f97398
|
update DIIS in HF and qsGW
|
2022-11-29 14:47:51 +01:00 |
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|
|
76a3b9cfff
|
SRG qsGW
|
2022-11-29 12:11:09 +01:00 |
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|
|
2a46cc4617
|
remove old methods and options
|
2022-11-29 09:54:18 +01:00 |
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|
|
d2082f55f8
|
implementation of BSE2@GW
|
2022-11-28 15:05:29 +01:00 |
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|
|
5a561e0ed9
|
update eDFT module
|
2022-11-28 10:52:06 +01:00 |
|
|
|
b5499435ae
|
numgrid install problem
|
2022-10-20 16:20:59 +02:00 |
|
|
|
96621bd038
|
adding routines for MBPT vs CC
|
2022-09-28 16:09:09 +02:00 |
|
|
|
1f2f6634bb
|
DIP- and DEA-EOM-CCD
|
2022-09-27 14:07:31 +02:00 |
|
|
|
68008e5738
|
working on ppBSE@GT
|
2022-09-09 21:48:50 +02:00 |
|
|
|
13ed518704
|
correct a few bugs in ppBSE
|
2022-08-17 16:53:59 +02:00 |
|
|
|
3acc640eee
|
excitation vectors for ppRPA and ppBSE
|
2022-08-17 15:52:13 +02:00 |
|
|
|
68672a74b9
|
adding option for ppBSE
|
2022-08-17 14:38:00 +02:00 |
|
|
|
93564f350d
|
ppBSE@G0W0
|
2022-08-17 14:32:14 +02:00 |
|
|
|
715c97a1e3
|
guess read implementation
|
2022-08-16 15:59:15 +02:00 |
|
|
|
20264ca56c
|
fix bug in iterative dynamic correction
|
2022-08-15 09:49:57 +02:00 |
|
|
|
f8880b24e1
|
qsUGT still not working
|
2022-02-25 11:33:13 +01:00 |
|
|
|
9f2bb3ba7d
|
qsUGT
|
2022-02-25 09:40:39 +01:00 |
|
|
|
cb0054c441
|
changed cutoff in ufG0W0
|
2022-02-18 16:29:17 +01:00 |
|
|
|
31e9911797
|
evUGT not working yet
|
2022-02-16 22:24:43 +01:00 |
|
