Pierre-Francois Loos
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6caba52805
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working on dBSE beyond TDA
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2024-07-04 13:21:45 +02:00 |
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Pierre-Francois Loos
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8db4d285f7
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ppBSE2 beyond TDA
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2024-07-04 11:22:41 +02:00 |
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Pierre-Francois Loos
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d2462ce185
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fix length line problem
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2023-12-15 09:57:21 +01:00 |
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Antoine Marie
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c429748320
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meeting
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2023-12-15 09:53:29 +01:00 |
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Antoine Marie
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f8f857ed38
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trying to fix merge conflict
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2023-12-14 21:44:17 +01:00 |
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Antoine Marie
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21b1bbda5c
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fixing ufGF2
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2023-12-14 10:10:09 +01:00 |
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Antoine Marie
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a259c81fa3
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save worf unfoldGF2, still not working ...
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2023-12-13 17:36:38 +01:00 |
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857d36ee77
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missing file
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2023-12-03 21:40:28 +01:00 |
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dac467ede9
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Merge branch 'master' of github.com:pfloos/QuAcK
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2023-12-03 21:07:41 +01:00 |
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836e244d69
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working toward ufG0F02
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2023-12-03 21:07:30 +01:00 |
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04c70f18d8
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minimal changes in many files
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2023-12-03 18:47:30 +01:00 |
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19fd073ab9
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fix bug in sort_ppRPA
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2023-11-29 16:20:53 +01:00 |
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Pierre-Francois Loos
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0d32c305bf
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timing in ufGW
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2023-11-27 10:17:14 +01:00 |
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Pierre-Francois Loos
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8a7e9ae90d
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timing in ufG0W0
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2023-11-27 09:56:32 +01:00 |
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a37cfb496e
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clean up AOtoMO transform
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2023-11-22 17:02:46 +01:00 |
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fc0d471481
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cleaning up AOtoMO transformation for RHF and UHF
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2023-11-22 16:20:14 +01:00 |
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ebd00ae525
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clean up print excitation energy
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2023-11-22 10:07:23 +01:00 |
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09a33729fe
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rename printing routines
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2023-11-20 17:42:50 +01:00 |
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11bdaf39b8
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rename print GF2
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2023-11-15 10:17:58 +01:00 |
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5ccb8ebdc5
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trying to fix collinearity test
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2023-11-15 00:52:12 +01:00 |
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d22ee6a560
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remove silly warning in print
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2023-11-14 22:00:23 +01:00 |
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Pierre-Francois Loos
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ff8557b684
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modify print in test
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2023-11-14 14:31:27 +01:00 |
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ce57b4b494
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OK with tests for now
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2023-11-13 18:43:43 +01:00 |
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8a5e094278
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include test in many different things... work on progress
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2023-11-13 16:15:15 +01:00 |
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ef528e6a3c
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rename RMP routines and fix bug
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2023-11-11 21:43:35 +01:00 |
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821265a7aa
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rename AOtoMO and MOtoAO
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2023-11-10 17:22:51 +01:00 |
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94cc75309e
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AO <-> MO modifs
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2023-11-08 22:58:55 +01:00 |
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Pierre-Francois Loos
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4c9841c5cd
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evGGF2 and evGGW
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2023-10-27 13:56:53 +02:00 |
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Pierre-Francois Loos
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a60aa8d8ee
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GMP3 and GG0F2
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2023-10-27 13:35:10 +02:00 |
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90508131e3
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working on GHF
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2023-10-26 09:35:48 +02:00 |
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0b892dbe31
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restructuration QuAcK for restricted and unrestricted branches
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2023-10-25 21:38:20 +02:00 |
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1be31c72f4
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fix for real bug in AOtoMO transform for unrestricted case
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2023-10-25 10:38:29 +02:00 |
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665f494dd5
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fix QP graph everywhere
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2023-10-02 21:45:02 +02:00 |
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a3bff66372
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change update of GF2 denominator
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2023-09-07 15:37:19 +02:00 |
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9f7a9f5c21
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fix plot mistake
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2023-08-24 11:18:12 +02:00 |
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f631f1711b
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modify print in GTeh
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2023-08-22 22:30:11 +02:00 |
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Antoine Marie
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ddb24ecf99
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fixing openmp bugs and some warning
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2023-08-21 10:54:33 +02:00 |
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9e65d4a090
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cleaning prints and fix bug in regularization
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2023-08-01 21:32:57 +02:00 |
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e02624c646
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regularization in GF2
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2023-08-01 17:38:35 +02:00 |
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0dfa3b0071
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clean up in RPA
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2023-07-31 16:01:12 +02:00 |
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e409b30699
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fix printing bug
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2023-07-30 22:14:28 +02:00 |
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4576ee06c3
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rename LR routines
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2023-07-28 14:14:35 +02:00 |
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6b56acf66b
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updating Z in QP roots
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2023-07-27 21:23:40 +02:00 |
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ee0cb0fd6a
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fix root search
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2023-07-27 17:43:18 +02:00 |
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0a212628c3
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fix memory leaks in ppBSE
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2023-07-27 10:11:35 +02:00 |
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91c6e7db40
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ppBSE2@GF2
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2023-07-25 10:46:56 +02:00 |
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f0dda32d67
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ppBSE kernel
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2023-07-24 15:01:54 +02:00 |
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991e975f86
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ppBSE@GF2 static kernels
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2023-07-24 13:57:56 +02:00 |
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2aa079ceb0
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ppBSE@GF2 B block
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2023-07-24 13:38:18 +02:00 |
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4bb6dd20c5
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ppBSE@GF2 C and D blocks
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2023-07-24 13:02:24 +02:00 |
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