Antoine Marie
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6c37311e38
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ppBSE GT
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2024-10-30 09:36:36 +01:00 |
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9b32dbd749
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fix stupid bug in UGW static kernel
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2024-10-30 09:28:39 +01:00 |
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Abdallah Ammar
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f2ead7138b
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read mol geom from working dir
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2024-10-29 23:43:33 +01:00 |
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Antoine Marie
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61288e474d
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ppBSE dynamic correction for the block D is working
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2024-10-25 14:44:35 +02:00 |
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Antoine Marie
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7c972806a0
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Merge branch 'master' of github.com:pfloos/QuAcK
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2024-10-23 18:07:04 +02:00 |
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ba01dd71fa
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looking for a bug in UGW_phBSE
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2024-10-15 02:14:51 +08:00 |
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2472e632f8
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fixing UGW_phBSE and UGW_phACFDT
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2024-10-14 04:11:48 +02:00 |
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96100f5cfd
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remove ccGW for now
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2024-10-11 15:34:35 +02:00 |
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Antoine Marie
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eca55bbcd8
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save modified file to pull
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2024-10-10 09:53:32 +02:00 |
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Pierre-Francois Loos
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da6dada877
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clean GTpp in progress but unfinished
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2024-10-01 16:14:33 +02:00 |
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Pierre-Francois Loos
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75479f07f2
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proper spin adaptation in GTpp
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2024-10-01 14:42:37 +02:00 |
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19be97355d
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saving
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2024-10-01 09:42:25 +02:00 |
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172ca40f37
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saving worj in ccGW
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2024-09-30 23:06:00 +02:00 |
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Pierre-Francois Loos
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80f393ded2
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typo flow RG0W0
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2024-09-27 15:31:38 +02:00 |
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ccd4ad570b
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saving work in ppBSE@GW
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2024-09-26 23:04:45 +02:00 |
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Pierre-Francois Loos
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b103364b76
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mess
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2024-09-26 20:06:23 +02:00 |
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Pierre-Francois Loos
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3494a6605a
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missing file
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2024-09-26 19:54:04 +02:00 |
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Pierre-Francois Loos
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26fde9363c
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debugging uf ppBSE
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2024-09-26 17:55:06 +02:00 |
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Pierre-Francois Loos
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88b0424cd3
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GGW ppBSE dyn
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2024-09-26 14:26:52 +02:00 |
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Pierre-Francois Loos
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dc0f77d525
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uf ppBSE
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2024-09-24 17:18:45 +02:00 |
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27a1aaa5e9
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cleanup
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2024-09-19 20:38:18 +02:00 |
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Pierre-Francois Loos
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486fde26d5
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new logo
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2024-09-19 17:09:20 +02:00 |
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f6b18f3c2a
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eomGW
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2024-09-18 18:08:24 +02:00 |
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8f94e0abdd
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clean up in ccG0W0
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2024-09-17 20:15:06 +02:00 |
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0e43294211
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clean up in ccG0W0
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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
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more efficient ccG0W0
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2024-09-17 16:39:38 +02:00 |
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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
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2024-09-17 09:10:16 +02:00 |
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6ad0cedc6e
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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 |
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Pierre-Francois Loos
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81257ad362
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working in CCGW
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2024-09-16 16:00:04 +02:00 |
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Pierre-Francois Loos
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4d66fbc20d
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working in CCGW
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2024-09-16 15:59:16 +02:00 |
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Pierre-Francois Loos
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37d312c789
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ppBSE upfolded
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2024-09-16 11:00:19 +02:00 |
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32998c8a32
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symmetrized upfolded phBSE scheme
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2024-09-14 23:25:38 +02:00 |
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c03e607ede
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ppBSE upfolded written
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2024-09-13 23:22:48 +02:00 |
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Pierre-Francois Loos
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767db708c9
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working on ufBSE
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2024-09-13 16:22:15 +02:00 |
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Pierre-Francois Loos
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180ed63d74
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fix bug
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2024-09-13 09:52:31 +02:00 |
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Pierre-Francois Loos
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77fea9a9bd
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redefine ppLR matrix
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2024-09-13 09:33:43 +02:00 |
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ac03c0e109
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Merge branch 'master' of github.com:pfloos/QuAcK
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2024-09-12 22:01:13 +02:00 |
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647f27fb62
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ok with RG0T0pp now
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2024-09-12 22:01:06 +02:00 |
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976c3d2cbb
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Update README.md
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2024-09-12 21:24:53 +02:00 |
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8ec7d3d170
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new routine to fix GTpp
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2024-09-12 20:10:02 +02:00 |
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Pierre-Francois Loos
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6290634d87
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fix bug in sort_ppRPA
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2024-09-12 17:14:04 +02:00 |
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Pierre-Francois Loos
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ff7cff0963
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fix bug in ppBSE dynamic kernel and subroutine names
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2024-09-12 15:46:11 +02:00 |
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90cc34c81a
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forget print file
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2024-09-11 22:14:30 +02:00 |
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568507a183
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ok for now with SRG
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2024-09-11 22:13:45 +02:00 |
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d1c29af200
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fix bug in SRG in U branch
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2024-09-11 21:58:25 +02:00 |
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d63472bb0b
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fix bug in SRG
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2024-09-11 21:40:38 +02:00 |
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