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6c4c526995
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cleanup QuAcK main module
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2023-07-29 09:24:55 +02:00 |
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68e6f02ae2
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clean print excitations
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2023-07-28 14:35:14 +02:00 |
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6b56acf66b
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updating Z in QP roots
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2023-07-27 21:23:40 +02:00 |
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4fec6e88f5
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clean up GTpp
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2023-07-27 19:17:20 +02:00 |
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ee0cb0fd6a
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fix root search
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2023-07-27 17:43:18 +02:00 |
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044058ac66
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root search for GTeh
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2023-07-27 16:43:15 +02:00 |
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0a212628c3
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fix memory leaks in ppBSE
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2023-07-27 10:11:35 +02:00 |
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91c6e7db40
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ppBSE2@GF2
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2023-07-25 10:46:56 +02:00 |
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09e04f3f53
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bug in qsGW
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2023-07-22 11:49:06 +02:00 |
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b010c872fc
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remove COHSEX completely
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2023-07-21 22:54:53 +02:00 |
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34fb993302
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clean up GTeh
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2023-07-21 20:38:49 +02:00 |
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5660146de5
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clean up GW and GT
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2023-07-21 12:30:29 +02:00 |
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1d9725546d
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fix bug in ppBSE
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2023-07-21 12:00:08 +02:00 |
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d11bebafe1
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fix bug in non-TDA dBSE@GW
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2023-07-21 11:28:12 +02:00 |
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6cc9802d00
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include B term in phBSE2@GW
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2023-07-21 11:18:00 +02:00 |
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d7e059c330
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remove useless routines in dBSE@GW
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2023-07-21 10:47:36 +02:00 |
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d8678bfe4f
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fix bug in dBSE@GW
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2023-07-21 10:45:10 +02:00 |
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46ab457dc2
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remove evDyn and cleanup dBSE@GW
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2023-07-21 10:21:54 +02:00 |
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3103f786d6
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fix bug
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2023-07-20 16:03:09 +02:00 |
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092a3f5e6d
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OK with LR in RPA routines
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2023-07-18 11:53:38 +02:00 |
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266be65f2e
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OK for ppLR
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2023-07-18 09:59:25 +02:00 |
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2c7653b7bc
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add HF module
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2023-07-17 13:35:24 +02:00 |
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ae540679cd
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more renaming
|
2023-07-12 23:16:37 +02:00 |
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d207fb5173
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renaming LR routines and fix bug in Z GW
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2023-07-12 13:34:10 +02:00 |
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06df6109fa
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add optimization in GT
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2023-07-10 11:53:42 +02:00 |
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490dd13c0d
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remove SOSEX
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2023-07-04 10:37:54 +02:00 |
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812721e5d9
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rename GTpp routines
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2023-07-04 10:32:47 +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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af5d4f4226
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fixing antoine
|
2023-07-02 16:21:14 +02:00 |
|
Antoine Marie
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545b5fb5e2
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trying to fix diverging version
|
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
|
2023-06-29 18:54:00 +02:00 |
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f998fb3a13
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remove self-screening correction
|
2023-04-12 22:29:10 +02:00 |
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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
|
2022-12-06 09:15:32 +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
|
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 |
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0b56f97398
|
update DIIS in HF and qsGW
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2022-11-29 14:47:51 +01:00 |
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76a3b9cfff
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SRG qsGW
|
2022-11-29 12:11:09 +01:00 |
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2a46cc4617
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remove old methods and options
|
2022-11-29 09:54:18 +01:00 |
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d2082f55f8
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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 |
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b5499435ae
|
numgrid install problem
|
2022-10-20 16:20:59 +02:00 |
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96621bd038
|
adding routines for MBPT vs CC
|
2022-09-28 16:09:09 +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
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working on ppBSE@GT
|
2022-09-09 21:48:50 +02:00 |
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13ed518704
|
correct a few bugs in ppBSE
|
2022-08-17 16:53:59 +02:00 |
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3acc640eee
|
excitation vectors for ppRPA and ppBSE
|
2022-08-17 15:52:13 +02:00 |
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