Abdallah Ammar
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abc74b8ced
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opt in RGW_excitation_density
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2024-09-11 10:43:07 +02:00 |
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c1107474ff
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more cleaning
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2024-09-11 10:13:11 +02:00 |
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Abdallah Ammar
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f04ea269da
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more optim in BSE (davidson) kernels
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2024-09-11 09:51:07 +02:00 |
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Abdallah Ammar
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ee2fa09dda
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optimized ppBSE kernels for Davidson: ispin = 2 + ERI access improv
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2024-09-11 01:36:42 +02:00 |
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Abdallah Ammar
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0deffa8638
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Merge branch 'master' of https://github.com/pfloos/QuAcK
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2024-09-11 00:25:47 +02:00 |
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Abdallah Ammar
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13d9ce5eda
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optimized ppBSE kernels for Davidson
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2024-09-11 00:25:42 +02:00 |
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Pierre-Francois Loos
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34fba9ed9c
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remove RMP3
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2024-09-10 17:08:16 +02:00 |
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Pierre-Francois Loos
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66c59f85a1
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remove unnecessary code in AOtoMO
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2024-09-10 17:05:03 +02:00 |
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Pierre-Francois Loos
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ba54a465a7
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Merge branch 'master' of github.com:pfloos/QuAcK
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2024-09-10 16:44:05 +02:00 |
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Pierre-Francois Loos
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66dfcd6ae7
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move orthogonalization matrix
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2024-09-10 16:43:58 +02:00 |
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Abdallah Ammar
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4f24625c9d
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Merge branch 'master' of https://github.com/pfloos/QuAcK
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2024-09-10 16:27:52 +02:00 |
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Abdallah Ammar
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0d8601d0e2
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Davidson refact + add BSEpp@GW kernels (naive version)
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2024-09-10 16:27:49 +02:00 |
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Pierre-Francois Loos
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d55584295d
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more cleanup (dity up)
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2024-09-10 15:11:06 +02:00 |
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Pierre-Francois Loos
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e01b6bedd1
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Merge branch 'master' of github.com:pfloos/QuAcK
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2024-09-10 14:35:52 +02:00 |
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Pierre-Francois Loos
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055fd3712a
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karlsruhe XBS version
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2024-09-10 14:35:45 +02:00 |
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Abdallah Ammar
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33439ca350
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Merge branch 'master' of https://github.com/pfloos/QuAcK
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2024-09-10 10:13:55 +02:00 |
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Abdallah Ammar
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bb337206eb
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refactoring in Davidson
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2024-09-10 10:13:50 +02:00 |
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Pierre-Francois Loos
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826d80d594
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more cleanup
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2024-09-10 09:40:22 +02:00 |
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Pierre-Francois Loos
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65ba14706c
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cleanup in RG0W0
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2024-09-10 09:34:46 +02:00 |
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e2617c1113
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debugging AC@BSE
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2024-09-09 20:49:35 +02:00 |
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0cbd4fb10f
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create G routines and remove duplicated code
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2024-09-08 17:23:23 +02:00 |
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b6652240d3
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GG0T0pp
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2024-09-08 17:15:27 +02:00 |
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d5a396200e
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remove redundant code
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2024-09-08 16:19:03 +02:00 |
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Abdallah Ammar
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8c01e47080
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reduce lines to <= 132 char
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2024-09-08 16:11:34 +02:00 |
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Abdallah Ammar
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9e5c2c629f
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rm olympe by default
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2024-09-07 14:02:43 +02:00 |
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Abdallah Ammar
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3142c59066
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Merge branch 'master' of https://github.com/pfloos/QuAcK
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2024-09-07 13:59:20 +02:00 |
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Abdallah Ammar
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178cf40214
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added Davidson for ppLR_RG0T0pp
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2024-09-07 13:59:15 +02:00 |
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f85bd15e03
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creating new routines gor G branch in RPA, LR, GF and GW
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2024-09-06 22:14:51 +02:00 |
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27f14363c7
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phGLR subroutines
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2024-09-06 21:35:42 +02:00 |
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Antoine Marie
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b9da29a020
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openmp in ppbse@gf2
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2024-09-06 20:54:12 +02:00 |
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Antoine Marie
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4134aadac5
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fixed ppBSE@GF2, still need to add openMP on loops
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2024-09-06 20:40:54 +02:00 |
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Pierre-Francois Loos
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cd25d07f6f
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ebugging GF2 ppBSE spin adaptation
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2024-09-06 16:16:16 +02:00 |
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Pierre-Francois Loos
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c9a269cbb6
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ppBSE@GF2@GHF
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2024-09-06 15:54:24 +02:00 |
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Antoine Marie
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07a625d854
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Merge branch 'master' of github.com:pfloos/QuAcK
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2024-09-06 15:22:51 +02:00 |
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Pierre-Francois Loos
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fa69888f48
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ppBSE@GW@GHF
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2024-09-06 13:47:15 +02:00 |
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Antoine Marie
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95a7372e2f
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rename BSE files in GF2
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2024-09-06 11:50:43 +02:00 |
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Antoine Marie
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3111666d15
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openMP implementation of the VV block for ppBSE@GF2
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2024-09-06 11:26:47 +02:00 |
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Pierre-Francois Loos
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2fd6158722
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small print again
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2024-09-04 16:17:44 +02:00 |
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Pierre-Francois Loos
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4d022994c9
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small print
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2024-09-04 16:16:29 +02:00 |
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Abdallah Ammar
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4a6b95aac7
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added local svd
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2024-09-04 08:22:03 +02:00 |
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4ca7fff02f
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renaming in GT
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2024-09-03 16:44:57 +02:00 |
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85393db27f
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renaming in GF module
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2024-09-03 16:28:18 +02:00 |
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ede79d9ff4
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renaming in GW module
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2024-09-03 16:06:09 +02:00 |
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c05432416e
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pCCD
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2024-09-03 15:00:50 +02:00 |
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bbbf50e146
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ok with pCCD for now
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2024-09-03 11:39:57 +02:00 |
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4cfe6ddb39
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ok with pCCD for now
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2024-09-03 11:35:21 +02:00 |
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348577f72a
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debug OO-pCCD
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2024-09-03 10:59:54 +02:00 |
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6a829f0cad
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creating routines for pCCD
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2024-09-03 09:03:17 +02:00 |
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6a6078ac7e
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passing Fock matrix and others in G branch
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2024-09-02 22:39:00 +02:00 |
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a90e6203ec
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passing Fock matrix and others in U branch
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2024-09-02 22:35:46 +02:00 |
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