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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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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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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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9a571c5b10
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saving work but still not debug
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2025-03-26 22:47:31 +01:00 |
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b3859c7446
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saving work but not fully debugged yet
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2025-03-26 16:19:23 +01:00 |
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d9fa986edb
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spin orbital parquet converging !
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2025-03-26 11:00:33 +01:00 |
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767257d107
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spin orbital parquet converging !
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2025-03-26 10:52:23 +01:00 |
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9d8b33dbea
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refactor in progress
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2025-03-25 17:20:02 +01:00 |
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Pierre-Francois Loos
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1e0ed28f67
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DIIS in parquet - working on it
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2025-03-25 10:31:17 +01:00 |
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86c42b7001
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ok with spin adaptation
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2025-03-24 23:24:59 +01:00 |
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e0fe498b51
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spin adaptation checked up to screened integrals, ie iteration 3
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2025-03-24 21:21:44 +01:00 |
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36685fcc73
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starting work on G Parquet
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2025-03-22 17:20:56 +01:00 |
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