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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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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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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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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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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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Pierre-Francois Loos
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ec676b7025
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convergence issue?
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2025-03-21 11:32:20 +01:00 |
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806343007a
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ok with build gamma
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2025-03-21 11:00:23 +01:00 |
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Pierre-Francois Loos
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5a8afe1739
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to be done -> rho vs Gam
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2025-03-21 10:04:17 +01:00 |
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Pierre-Francois Loos
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9b15b34e4a
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removing initial useless RPA
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2025-03-21 09:48:10 +01:00 |
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a0de15240f
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modifs in parquet for Antoine
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2025-03-20 22:29:07 +01:00 |
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4e7ce9dbb4
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update Parquet
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2025-03-20 16:27:04 +01:00 |
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14318a2178
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update on Parquet
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2025-03-17 14:56:56 +01:00 |
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