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3acc640eee
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excitation vectors for ppRPA and ppBSE
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2022-08-17 15:52:13 +02:00 |
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68672a74b9
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adding option for ppBSE
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2022-08-17 14:38:00 +02:00 |
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93564f350d
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ppBSE@G0W0
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2022-08-17 14:32:14 +02:00 |
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715c97a1e3
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guess read implementation
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2022-08-16 15:59:15 +02:00 |
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20264ca56c
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fix bug in iterative dynamic correction
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2022-08-15 09:49:57 +02:00 |
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f8880b24e1
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qsUGT still not working
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2022-02-25 11:33:13 +01:00 |
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9f2bb3ba7d
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qsUGT
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2022-02-25 09:40:39 +01:00 |
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cb0054c441
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changed cutoff in ufG0W0
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2022-02-18 16:29:17 +01:00 |
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4ab817e39d
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evUGT working
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2022-02-17 08:51:35 +01:00 |
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31e9911797
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evUGT not working yet
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2022-02-16 22:24:43 +01:00 |
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a878fc6e3b
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UG0T0
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2022-02-16 21:27:35 +01:00 |
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907bb2aa78
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evUGT
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2022-02-16 13:29:22 +01:00 |
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0b4abc2d91
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fix merge
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2022-02-15 20:15:21 +01:00 |
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Pierre-Francois Loos
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1dea272863
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commit before enzo pull
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2022-02-15 20:14:01 +01:00 |
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ab27723b51
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UG0T0
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2022-02-15 14:08:11 +01:00 |
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86f501cb78
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ppURPA
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2022-02-15 13:51:18 +01:00 |
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d4c50fa39e
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print_UG0T0.f90
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2022-02-08 13:45:13 +01:00 |
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d922666173
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UG0T0
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2022-02-08 11:57:15 +01:00 |
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15a04fd253
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merge with Clotilde
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2022-02-07 10:48:46 +01:00 |
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036c8bda26
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merge with Clotilde
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2022-02-07 10:48:22 +01:00 |
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Clotilde Marut
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7c092f6f6a
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Merge branch 'master' of github.com:pfloos/quack
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2022-02-07 10:47:34 +01:00 |
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Clotilde Marut
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8c7b8213fc
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add CC-B88
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2022-02-07 10:47:15 +01:00 |
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60e12c091a
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Merge branch 'master' of https://github.com/pfloos/QuAcK
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2022-02-07 10:47:03 +01:00 |
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2325131fb0
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UG0T0
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2022-02-07 10:46:43 +01:00 |
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Clotilde Marut
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82fd7c5fb4
|
merge with T2
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2022-02-07 10:45:18 +01:00 |
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Clotilde Marut
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5b436558ed
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CC-B88 kappa in DD and many other things
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2022-02-07 10:40:50 +01:00 |
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21c1ceb975
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fix ACFDT for Tmatrix
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2022-02-03 10:05:58 +01:00 |
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03f41ef20c
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level shift and proper guess
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2022-02-02 15:06:51 +01:00 |
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a1e81ab7e5
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clean BSE2
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2022-02-01 11:42:31 +01:00 |
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eca248d34d
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remove print
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2022-01-31 13:41:07 +01:00 |
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f7718c8ab1
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clean linear response and static BSE2 kernel
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2022-01-31 13:19:42 +01:00 |
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23e520cea9
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ppURPA cleaner
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2022-01-29 13:51:06 +01:00 |
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0924ce1b3d
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clean ppURPA
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2022-01-29 11:47:35 +01:00 |
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df5345e570
|
spinorbital BSE@G0T0
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2022-01-26 13:05:16 +01:00 |
|
Pierre-Francois Loos
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0f7cde9766
|
fix bug in eDFT rcond not initialized
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2022-01-24 10:29:27 +01:00 |
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2fa1010fd9
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fix bug linGF
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2022-01-17 15:15:27 +01:00 |
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0196fc3a4e
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fix bug in UHF
|
2022-01-17 15:12:45 +01:00 |
|
Pierre-Francois Loos
|
16431bcd33
|
ufG0W0
|
2022-01-17 08:02:11 +01:00 |
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23c7dfdf08
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B part of dBSE@GT
|
2022-01-12 09:18:35 +01:00 |
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96e4f15aeb
|
B part of dBSE@GT
|
2022-01-12 09:17:39 +01:00 |
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fc0f9bb5f0
|
dynamic BSE@GT
|
2022-01-11 15:23:43 +01:00 |
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978e8b6a2c
|
OK with BSE@GT
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2022-01-09 23:13:17 +01:00 |
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695b407335
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OK with BSE@GT
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2022-01-09 23:12:21 +01:00 |
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d790d95c4d
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fix bugs in print in UKS
|
2022-01-08 13:59:45 +01:00 |
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41d160d1d6
|
fix sign in GM@GT
|
2022-01-07 15:14:00 +01:00 |
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909777c458
|
rename routine in HF
|
2022-01-07 09:56:30 +01:00 |
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0cdf014817
|
fix bug GM@GT
|
2022-01-07 09:37:11 +01:00 |
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16066f96d8
|
rename routines in eDFT
|
2022-01-07 09:13:38 +01:00 |
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d51f99671d
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problem with rcond in DIIS fixed
|
2022-01-06 22:36:30 +01:00 |
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c93ae70805
|
fix bug in regularized self energy
|
2022-01-06 22:13:45 +01:00 |
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