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0e43294211
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clean up in ccG0W0
|
2024-09-17 20:13:18 +02:00 |
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42f5439924
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ccG0W0 with minimal memory and DIIS
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2024-09-17 19:12:45 +02:00 |
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Pierre-Francois Loos
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2fd282fcce
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saving wok in ccGW
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2024-09-17 17:17:57 +02:00 |
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Pierre-Francois Loos
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8b7c715811
|
more efficient ccG0W0
|
2024-09-17 16:39:38 +02:00 |
|
Pierre-Francois Loos
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4fa5706b90
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ccRG0W0
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2024-09-17 14:31:48 +02:00 |
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5fa70be11e
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ok with ccGW
|
2024-09-17 09:10:16 +02:00 |
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6ad0cedc6e
|
saving work in CCGW
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2024-09-16 23:32:38 +02:00 |
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94f5fd416f
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CC-based GW
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2024-09-16 22:30:23 +02:00 |
|
Pierre-Francois Loos
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81257ad362
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working in CCGW
|
2024-09-16 16:00:04 +02:00 |
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Pierre-Francois Loos
|
4d66fbc20d
|
working in CCGW
|
2024-09-16 15:59:16 +02:00 |
|
Pierre-Francois Loos
|
37d312c789
|
ppBSE upfolded
|
2024-09-16 11:00:19 +02:00 |
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|
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32998c8a32
|
symmetrized upfolded phBSE scheme
|
2024-09-14 23:25:38 +02:00 |
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c03e607ede
|
ppBSE upfolded written
|
2024-09-13 23:22:48 +02:00 |
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Pierre-Francois Loos
|
767db708c9
|
working on ufBSE
|
2024-09-13 16:22:15 +02:00 |
|
Pierre-Francois Loos
|
180ed63d74
|
fix bug
|
2024-09-13 09:52:31 +02:00 |
|
Pierre-Francois Loos
|
77fea9a9bd
|
redefine ppLR matrix
|
2024-09-13 09:33:43 +02:00 |
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|
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ac03c0e109
|
Merge branch 'master' of github.com:pfloos/QuAcK
|
2024-09-12 22:01:13 +02:00 |
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647f27fb62
|
ok with RG0T0pp now
|
2024-09-12 22:01:06 +02:00 |
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|
|
976c3d2cbb
|
Update README.md
|
2024-09-12 21:24:53 +02:00 |
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8ec7d3d170
|
new routine to fix GTpp
|
2024-09-12 20:10:02 +02:00 |
|
Pierre-Francois Loos
|
6290634d87
|
fix bug in sort_ppRPA
|
2024-09-12 17:14:04 +02:00 |
|
Pierre-Francois Loos
|
ff7cff0963
|
fix bug in ppBSE dynamic kernel and subroutine names
|
2024-09-12 15:46:11 +02:00 |
|
|
|
90cc34c81a
|
forget print file
|
2024-09-11 22:14:30 +02:00 |
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|
|
568507a183
|
ok for now with SRG
|
2024-09-11 22:13:45 +02:00 |
|
|
|
d1c29af200
|
fix bug in SRG in U branch
|
2024-09-11 21:58:25 +02:00 |
|
|
|
d63472bb0b
|
fix bug in SRG
|
2024-09-11 21:40:38 +02:00 |
|
|
|
bf77863d6c
|
QP search for SRG done
|
2024-09-11 20:35:07 +02:00 |
|
|
|
04a42701e2
|
working on SRG for GW
|
2024-09-11 18:41:27 +02:00 |
|
|
|
6a7b0337d9
|
remove more SRG
|
2024-09-11 17:59:28 +02:00 |
|
|
|
9f98f7b856
|
remove SRG-qsGW methods
|
2024-09-11 17:58:36 +02:00 |
|
|
|
c2d92e2299
|
UGW_SRG
|
2024-09-11 17:21:43 +02:00 |
|
|
|
da7bdcd809
|
fusion SRG into qsGW
|
2024-09-11 15:09:40 +02:00 |
|
|
|
9ce21a9d2b
|
Merge branch 'master' of github.com:pfloos/QuAcK
|
2024-09-11 11:39:13 +02:00 |
|
|
|
eb6f35a799
|
starting cleaning SRG
|
2024-09-11 11:39:03 +02:00 |
|
Abdallah Ammar
|
ab4cca296e
|
fixed openmp bug
|
2024-09-11 10:51:37 +02:00 |
|
Abdallah Ammar
|
b329da2d1c
|
Merge branch 'master' of https://github.com/pfloos/QuAcK
|
2024-09-11 10:43:29 +02:00 |
|
Abdallah Ammar
|
abc74b8ced
|
opt in RGW_excitation_density
|
2024-09-11 10:43:07 +02:00 |
|
|
|
c1107474ff
|
more cleaning
|
2024-09-11 10:13:11 +02:00 |
|
Abdallah Ammar
|
f04ea269da
|
more optim in BSE (davidson) kernels
|
2024-09-11 09:51:07 +02:00 |
|
Abdallah Ammar
|
ee2fa09dda
|
optimized ppBSE kernels for Davidson: ispin = 2 + ERI access improv
|
2024-09-11 01:36:42 +02:00 |
|
Abdallah Ammar
|
0deffa8638
|
Merge branch 'master' of https://github.com/pfloos/QuAcK
|
2024-09-11 00:25:47 +02:00 |
|
Abdallah Ammar
|
13d9ce5eda
|
optimized ppBSE kernels for Davidson
|
2024-09-11 00:25:42 +02:00 |
|
Pierre-Francois Loos
|
34fba9ed9c
|
remove RMP3
|
2024-09-10 17:08:16 +02:00 |
|
Pierre-Francois Loos
|
66c59f85a1
|
remove unnecessary code in AOtoMO
|
2024-09-10 17:05:03 +02:00 |
|
Pierre-Francois Loos
|
ba54a465a7
|
Merge branch 'master' of github.com:pfloos/QuAcK
|
2024-09-10 16:44:05 +02:00 |
|
Pierre-Francois Loos
|
66dfcd6ae7
|
move orthogonalization matrix
|
2024-09-10 16:43:58 +02:00 |
|
Abdallah Ammar
|
4f24625c9d
|
Merge branch 'master' of https://github.com/pfloos/QuAcK
|
2024-09-10 16:27:52 +02:00 |
|
Abdallah Ammar
|
0d8601d0e2
|
Davidson refact + add BSEpp@GW kernels (naive version)
|
2024-09-10 16:27:49 +02:00 |
|
Pierre-Francois Loos
|
d55584295d
|
more cleanup (dity up)
|
2024-09-10 15:11:06 +02:00 |
|
Pierre-Francois Loos
|
e01b6bedd1
|
Merge branch 'master' of github.com:pfloos/QuAcK
|
2024-09-10 14:35:52 +02:00 |
|
