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9c7725a0d9
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more UGW renaming
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2023-07-27 22:07:02 +02:00 |
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eee5f6bac8
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rename UGW routines
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2023-07-27 21:59:18 +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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866ed94153
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add S2
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2023-07-27 11:38:56 +02:00 |
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d738e335ba
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clean up
|
2023-07-27 11:38:38 +02:00 |
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0a212628c3
|
fix memory leaks in ppBSE
|
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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412e49f643
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fix bug in ppBSE@GW
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2023-07-24 22:40:00 +02:00 |
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2ecc80a278
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dynamic ppBSE@GW
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2023-07-24 22:34:52 +02:00 |
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b53f18fa79
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ppBSE dynamic kernel B and D
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2023-07-24 21:46:03 +02:00 |
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c0da089370
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ppBSE dynamic kernel B and D
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2023-07-24 21:45:51 +02:00 |
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d601d16dc5
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ppBSE dynamic kernel C
|
2023-07-24 15:21:21 +02:00 |
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f0dda32d67
|
ppBSE kernel
|
2023-07-24 15:01:54 +02:00 |
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991e975f86
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ppBSE@GF2 static kernels
|
2023-07-24 13:57:56 +02:00 |
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2aa079ceb0
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ppBSE@GF2 B block
|
2023-07-24 13:38:18 +02:00 |
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4bb6dd20c5
|
ppBSE@GF2 C and D blocks
|
2023-07-24 13:02:24 +02:00 |
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bd6fdf87f1
|
remove ERI_AO in GW GT
|
2023-07-23 23:10:57 +02:00 |
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53ac297aa0
|
rename n_diis in max_diis in read_options
|
2023-07-23 22:05:38 +02:00 |
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4de7d1882d
|
fix bug in HF diis
|
2023-07-23 22:03:42 +02:00 |
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eb59072a2c
|
cleanup
|
2023-07-23 18:03:15 +02:00 |
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f515261c88
|
GT and GW modules
|
2023-07-23 17:41:44 +02:00 |
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aa1d3c90bc
|
module GF
|
2023-07-23 11:58:18 +02:00 |
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ed08450661
|
RPA module
|
2023-07-23 11:16:42 +02:00 |
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d91f343713
|
fix bug in CI module
|
2023-07-23 10:40:39 +02:00 |
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|
f5f34d9668
|
CI module
|
2023-07-23 10:29:24 +02:00 |
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75f4839725
|
create CC module
|
2023-07-22 22:19:46 +02:00 |
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b5ccfb734a
|
remove Vxc and SigX and rename routines in UGT
|
2023-07-22 21:40:19 +02:00 |
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|
1ea1d49a4e
|
rename UGF routines
|
2023-07-22 21:02:59 +02:00 |
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|
3a18f3e28a
|
rename UAC routines
|
2023-07-22 19:41:45 +02:00 |
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|
09e04f3f53
|
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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|
c476b258ff
|
rename ULR routines
|
2023-07-21 13:04:29 +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 |
|
|
|
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
|
fix bug in dBSE@GW
|
2023-07-21 10:45:10 +02:00 |
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|
|
6c4d0c7544
|
Merge branch 'master' of github.com:pfloos/QuAcK
|
2023-07-21 10:22:00 +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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|
|
d310754ed1
|
Update README.md
|
2023-07-20 22:19:17 +02:00 |
|
|
|
b53a1505be
|
remove useless routines in utils
|
2023-07-20 22:17:47 +02:00 |
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|
|
e6d68ea534
|
remove static_screening
|
2023-07-20 22:09:12 +02:00 |
|
|
|
752edf29bf
|
cleanup LR
|
2023-07-20 22:01:11 +02:00 |
|
|
|
6df119aaba
|
move exchange
|
2023-07-20 21:54:31 +02:00 |
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|
|
4e7cb25352
|
move exchange
|
2023-07-20 21:54:09 +02:00 |
|
