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e449be4d18
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unrestricted GTpp methods
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2023-07-30 22:21:23 +02:00 |
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2d61eaa29f
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clean up UGW
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2023-07-30 22:01:44 +02:00 |
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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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bd6fdf87f1
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remove ERI_AO in GW GT
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2023-07-23 23:10:57 +02:00 |
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4de7d1882d
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fix bug in HF diis
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2023-07-23 22:03:42 +02:00 |
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eb59072a2c
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cleanup
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2023-07-23 18:03:15 +02:00 |
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ed08450661
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RPA module
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2023-07-23 11:16:42 +02:00 |
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d91f343713
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fix bug in CI module
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2023-07-23 10:40:39 +02:00 |
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3a18f3e28a
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rename UAC routines
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2023-07-22 19:41:45 +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
|
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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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
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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
|
remove evDyn and cleanup dBSE@GW
|
2023-07-21 10:21:54 +02:00 |
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3103f786d6
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fix bug
|
2023-07-20 16:03:09 +02:00 |
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0b72047ab3
|
phLR in GTeh
|
2023-07-18 22:17:42 +02:00 |
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7b06e8ea50
|
fix bug in dSigmaC
|
2023-07-18 15:07:07 +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
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OK for ppLR
|
2023-07-18 09:59:25 +02:00 |
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65ddd8df20
|
remove MO.dat
|
2023-07-18 09:20:07 +02:00 |
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af6a2038d6
|
fix bug in MP module
|
2023-07-17 14:24:49 +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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6e93f1f6bb
|
add dynamic BSE2@GW
|
2023-07-10 14:50:16 +02:00 |
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6d4199f989
|
add optimization in GF
|
2023-07-10 13:53:39 +02:00 |
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06df6109fa
|
add optimization in GT
|
2023-07-10 11:53:42 +02:00 |
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d93fbcb591
|
add optimization in BSE@GW
|
2023-07-10 11:36:45 +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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1110cd6319
|
evGTeh
|
2023-07-03 23:15:07 +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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|
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f998fb3a13
|
remove self-screening correction
|
2023-04-12 22:29:10 +02:00 |
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