Loris Burth
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275de5f98e
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init plot complex greens function
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2025-04-14 11:30:00 +02:00 |
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Loris Burth
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0cc85b40b0
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plot self energy
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2025-04-07 13:51:39 +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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Loris Burth
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8e057060e6
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fixed root real part in complex root search of G0W0
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2025-04-03 20:56:58 +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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Loris Burth
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99f26ceca3
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Added root search for full complex RG0W0
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2025-04-03 17:13:49 +02:00 |
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Loris Burth
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6dbaa0c2d1
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fully complex G0W0 consistent with real one
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2025-04-03 15:58:41 +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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Loris Burth
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7d81113730
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removed unnecessary sort
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2025-04-02 20:00:56 +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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lburth
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12a87a9f45
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debugging
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2025-04-02 16:09:42 +02:00 |
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Loris Burth
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f3127f4300
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debugging
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2025-04-02 16:05:15 +02:00 |
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Loris Burth
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9dfa4e6531
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debugging
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2025-04-02 15:59:20 +02:00 |
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Loris Burth
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8a3c738135
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avoid matmul nesting with large matrices
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2025-04-02 15:50:31 +02:00 |
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Loris Burth
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c879a461b6
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debugging
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2025-04-02 15:42:39 +02:00 |
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Loris Burth
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3d3807dc34
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small bug fix
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2025-04-02 15:34:49 +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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Loris Burth
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9b663eeca6
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First go for fully complex RG0W0
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2025-04-02 10:45:46 +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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Loris Burth
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cdf6f5ecf2
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WIP: Implement fully complex G0W0
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2025-03-31 17:49:25 +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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Loris Burth
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ebbd1df3cc
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print adapts
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2025-03-31 15:15:55 +02:00 |
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Loris Burth
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d080e7118f
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minor change
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2025-03-31 14:37:41 +02:00 |
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Loris Burth
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a5e799ca98
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bug fix
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2025-03-31 14:25:04 +02:00 |
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