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9d28c496b9
|
print GHF
|
2023-10-26 21:32:34 +02:00 |
|
Pierre-Francois Loos
|
5b8c0d542c
|
post-GHF methods
|
2023-10-26 18:00:16 +02:00 |
|
|
|
e6e46c36a5
|
GHF under progress
|
2023-10-25 23:05:08 +02:00 |
|
|
|
0b892dbe31
|
restructuration QuAcK for restricted and unrestricted branches
|
2023-10-25 21:38:20 +02:00 |
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|
|
4d8b25dfea
|
add QP search in UG0W0 and evUGW
|
2023-10-25 13:19:21 +02:00 |
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|
|
1be31c72f4
|
fix for real bug in AOtoMO transform for unrestricted case
|
2023-10-25 10:38:29 +02:00 |
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|
|
5d0441e850
|
fix bug in qsUGW and evUGW
|
2023-10-25 00:05:17 +02:00 |
|
Pierre-Francois Loos
|
1084fcebea
|
fix bug... maybe
|
2023-10-24 17:03:41 +02:00 |
|
Pierre-Francois Loos
|
95a3715a3f
|
fix UHF
|
2023-10-24 14:39:02 +02:00 |
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|
|
83e5c9b07c
|
fix bug in UG0W0
|
2023-10-23 21:36:07 +02:00 |
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|
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be16946f90
|
eta is internal parameter in plots
|
2023-10-04 08:41:54 +02:00 |
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|
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665f494dd5
|
fix QP graph everywhere
|
2023-10-02 21:45:02 +02:00 |
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|
|
cf3b2cba58
|
fix QP graph in GW
|
2023-10-02 21:37:25 +02:00 |
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|
|
76db32142b
|
more clean up
|
2023-09-07 22:28:47 +02:00 |
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a3bff66372
|
change update of GF2 denominator
|
2023-09-07 15:37:19 +02:00 |
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|
|
c8c95ff439
|
modify lin vs qp solutions
|
2023-09-07 14:01:58 +02:00 |
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|
4e057b71f5
|
print ROHF
|
2023-09-06 12:22:53 +02:00 |
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|
|
99cbd0e95d
|
ROHF not yet debugged
|
2023-09-05 17:23:40 +02:00 |
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|
|
c046bc277c
|
more clean up in QP root search
|
2023-08-24 12:14:07 +02:00 |
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|
|
7b30127e21
|
fix plot mistake
|
2023-08-24 11:57:19 +02:00 |
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|
e19e870805
|
fix root search in GTpp and plot routine
|
2023-08-24 11:46:45 +02:00 |
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|
7efca56054
|
plotting routines
|
2023-08-24 00:02:23 +02:00 |
|
|
|
f631f1711b
|
modify print in GTeh
|
2023-08-22 22:30:11 +02:00 |
|
|
|
9e65d4a090
|
cleaning prints and fix bug in regularization
|
2023-08-01 21:32:57 +02:00 |
|
|
|
0dfa3b0071
|
clean up in RPA
|
2023-07-31 16:01:12 +02:00 |
|
|
|
29f3312cfc
|
remove useless routines
|
2023-07-31 14:47:09 +02:00 |
|
|
|
e449be4d18
|
unrestricted GTpp methods
|
2023-07-30 22:21:23 +02:00 |
|
|
|
2d61eaa29f
|
clean up UGW
|
2023-07-30 22:01:44 +02:00 |
|
|
|
6c4c526995
|
cleanup QuAcK main module
|
2023-07-29 09:24:55 +02:00 |
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|
|
68e6f02ae2
|
clean print excitations
|
2023-07-28 14:35:14 +02:00 |
|
|
|
6b56acf66b
|
updating Z in QP roots
|
2023-07-27 21:23:40 +02:00 |
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|
|
4fec6e88f5
|
clean up GTpp
|
2023-07-27 19:17:20 +02:00 |
|
|
|
044058ac66
|
root search for GTeh
|
2023-07-27 16:43:15 +02:00 |
|
|
|
0a212628c3
|
fix memory leaks in ppBSE
|
2023-07-27 10:11:35 +02:00 |
|
|
|
91c6e7db40
|
ppBSE2@GF2
|
2023-07-25 10:46:56 +02:00 |
|
|
|
bd6fdf87f1
|
remove ERI_AO in GW GT
|
2023-07-23 23:10:57 +02:00 |
|
|
|
4de7d1882d
|
fix bug in HF diis
|
2023-07-23 22:03:42 +02:00 |
|
|
|
eb59072a2c
|
cleanup
|
2023-07-23 18:03:15 +02:00 |
|
|
|
ed08450661
|
RPA module
|
2023-07-23 11:16:42 +02:00 |
|
|
|
d91f343713
|
fix bug in CI module
|
2023-07-23 10:40:39 +02:00 |
|
|
|
3a18f3e28a
|
rename UAC routines
|
2023-07-22 19:41:45 +02:00 |
|
|
|
09e04f3f53
|
bug in qsGW
|
2023-07-22 11:49:06 +02:00 |
|
|
|
b010c872fc
|
remove COHSEX completely
|
2023-07-21 22:54:53 +02:00 |
|
|
|
34fb993302
|
clean up GTeh
|
2023-07-21 20:38:49 +02:00 |
|
|
|
5660146de5
|
clean up GW and GT
|
2023-07-21 12:30:29 +02:00 |
|
|
|
3103f786d6
|
fix bug
|
2023-07-20 16:03:09 +02:00 |
|
|
|
0b72047ab3
|
phLR in GTeh
|
2023-07-18 22:17:42 +02:00 |
|
|
|
7b06e8ea50
|
fix bug in dSigmaC
|
2023-07-18 15:07:07 +02:00 |
|
|
|
092a3f5e6d
|
OK with LR in RPA routines
|
2023-07-18 11:53:38 +02:00 |
|
|
|
266be65f2e
|
OK for ppLR
|
2023-07-18 09:59:25 +02:00 |
|
