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09051226de
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GW alternatif
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2025-04-23 14:19:29 +02:00 |
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921902962b
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trying a sanity check
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2025-04-21 14:56:27 +02:00 |
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c3d222ee26
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saving work in ghf
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2025-04-17 15:03:45 +02:00 |
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0873effb64
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Merge branch 'master' of github.com:pfloos/QuAcK
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2025-04-15 15:55:32 +02:00 |
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1d316f0fd2
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ok with pp self-energy, eh self-energy still giving crazy results
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2025-04-15 15:55:24 +02:00 |
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ccc32dace0
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Update README.md
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2025-04-14 21:49:01 +02:00 |
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a4c422fe39
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Update README.md
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2025-04-14 21:48:20 +02:00 |
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500ad141f6
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Update README.md
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2025-04-14 21:46:28 +02:00 |
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acf65597ec
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Update README.md
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2025-04-14 21:45:08 +02:00 |
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9234df0e10
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Update README.md
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2025-04-14 21:42:49 +02:00 |
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Pierre-Francois Loos
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f4e5baa8dc
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Merge branch 'master' of github.com:pfloos/QuAcK
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2025-04-14 15:27:54 +02:00 |
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Pierre-Francois Loos
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ee8299a5f6
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clean up in AOtoMO
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2025-04-14 15:27:47 +02:00 |
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095695ab6b
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trying to solve problem
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2025-04-05 17:29:13 +02:00 |
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Pierre-Francois Loos
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e1cddba6c3
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corrections in GParquet self-energy
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2025-04-04 09:54:02 +02:00 |
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Pierre-Francois Loos
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deee1061c9
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remove long lines
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2025-04-04 09:23:05 +02:00 |
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8213c47615
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DIIS in parquet 1b with more printing
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2025-04-03 22:19:01 +02:00 |
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a168d1be34
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diis for one-body part in RParquet
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2025-04-03 22:06:07 +02:00 |
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fff8fd71ec
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tracking memory usage in RParquet
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2025-04-03 21:47:28 +02:00 |
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e967e12bfb
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improve convergence by removing silly reset to zero
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2025-04-03 18:11:24 +02:00 |
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c20aba0c5e
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fix
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2025-04-03 17:32:29 +02:00 |
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100357747b
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more openMP
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2025-04-03 17:26:35 +02:00 |
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8002e021fd
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modify print in parquet
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2025-04-03 17:23:28 +02:00 |
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e39c90723a
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correct SCF loop in RHF
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2025-04-03 15:53:19 +02:00 |
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992c65b497
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restricted self energy done
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2025-04-03 15:50:31 +02:00 |
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bf35de22d7
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ok with pp self-energy
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2025-04-03 13:51:28 +02:00 |
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2053384ff3
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Merge branch 'master' of github.com:pfloos/QuAcK
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2025-04-02 16:28:49 +02:00 |
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0881c8f24c
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memory usage in GParquet
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2025-04-02 16:27:59 +02:00 |
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d2cf0cc7b0
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remove prints
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2025-04-02 16:19:32 +02:00 |
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56224b3600
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change print
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2025-04-02 16:17:00 +02:00 |
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54d88733df
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RHF GF2 self-energy
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2025-04-02 16:16:34 +02:00 |
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9c79ff2c5a
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Merge branch 'master' of github.com:pfloos/QuAcK
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2025-04-02 15:13:51 +02:00 |
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d024fb5db4
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open mp in ghf
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2025-04-02 15:13:47 +02:00 |
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2d651dd1cc
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diis options in parquet
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2025-04-02 14:40:00 +02:00 |
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99f26d72bf
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speedup phGLR and G_screened_int
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2025-04-02 11:35:33 +02:00 |
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d6b6e7ce63
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saving work
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2025-04-02 10:52:04 +02:00 |
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ecf657810b
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fix test
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2025-04-01 18:21:35 +02:00 |
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2b99b154c5
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more options in parquet
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2025-04-01 18:18:35 +02:00 |
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Pierre-Francois Loos
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abf82a3453
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working on parquet
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2025-04-01 13:51:37 +02:00 |
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2a0172e703
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modify script to create new routines
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2025-03-31 22:34:59 +02:00 |
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d1dd544b3e
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adding more variables (Ec,TDA)
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2025-03-31 22:19:07 +02:00 |
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a96e46bbc5
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more changes in print
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2025-03-31 22:03:00 +02:00 |
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337a672461
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proper printing routine for 1b parquet
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2025-03-31 21:31:59 +02:00 |
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cd54aab559
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correct unwanted changeé
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2025-03-31 16:21:52 +02:00 |
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014a6adcfe
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add renormalization factor
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2025-03-31 16:18:56 +02:00 |
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a45f109a96
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spin-orbital implementation of self-energy
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2025-03-31 15:56:05 +02:00 |
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1c279e528e
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small modifs in GParquet
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2025-03-27 22:25:49 +01:00 |
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Pierre-Francois Loos
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ea26528afc
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diis on Phis
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2025-03-27 11:14:13 +01:00 |
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b3178e8a08
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saving work
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2025-03-27 10:07:36 +01:00 |
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3ddb7802a3
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spin adaptation and refactoring done
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2025-03-27 09:58:01 +01:00 |
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9c923dfcb3
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Merge branch 'master' of github.com:pfloos/QuAcK
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2025-03-26 22:48:54 +01:00 |
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