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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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d5e7be1500
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fix scf convergence issues in RHF, UHF, ROHF and GHF
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2023-11-17 00:26:44 +01:00 |
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a2c38aa03b
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remove COHSEX and modify phLR in GW routines
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2023-07-18 14:59:18 +02:00 |
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c797967170
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optimize memory in diagonalizations
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2023-03-13 10:14:26 +01:00 |
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0b56f97398
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update DIIS in HF and qsGW
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2022-11-29 14:47:51 +01:00 |
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9eca749bce
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qsGW
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2021-06-25 10:19:42 +02:00 |
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f700c431d6
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sort ppRPA
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2020-03-25 21:10:21 +01:00 |
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1acf76b156
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remove ERI copy in qsGW
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2019-10-30 10:31:05 +01:00 |
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72abe8a4f6
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bug
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2019-10-28 16:34:09 +01:00 |
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877f78f1a5
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T-matrix in spinorbitals
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2019-10-22 23:03:01 +02:00 |
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f8a9321cf0
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pp-RPA starting to be OK
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2019-10-15 17:56:27 +02:00 |
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a963b22293
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debugging
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2019-04-29 09:43:33 +02:00 |
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ca3a985d50
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create utils
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2019-03-20 13:38:42 +01:00 |
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