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3d46cde2e4
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Cleaning ccsd_spin
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2025-02-05 13:35:38 +01:00 |
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e3e874879f
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Introduced Cholesky in gen_spin_space
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2025-02-04 19:17:33 +01:00 |
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0647a9db5f
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Starting optimization of open-shell ccsd
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2025-02-04 14:49:39 +01:00 |
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348f606791
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Provide mo...in_map -> all_mo_integrals
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2025-01-20 18:03:19 +01:00 |
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cd65662fe2
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Fix 1 -> 1.d0 in CCSD DIIS
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2024-09-27 15:39:01 +02:00 |
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09d9a814d2
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Added stop in (T)
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2024-05-27 11:38:57 +02:00 |
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4f296efb66
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Fixed qp_export_as_tgz
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2023-12-05 17:19:47 +01:00 |
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d4574f24d9
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Reduced memory in CCSD
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2023-07-12 12:34:48 +02:00 |
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64ee4eab75
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Removed all vvv in CCSD
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2023-07-11 15:13:01 +02:00 |
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e82220a6a4
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Working on Cholesky CCSD
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2023-07-06 02:12:42 +02:00 |
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94b1ae138b
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Cleaning
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2023-07-05 00:40:48 +02:00 |
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119779595a
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Accelerate Cholesky CCSD
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2023-07-04 23:43:26 +02:00 |
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e83a1f962e
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Cholesky flag in CCSD
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2023-06-29 18:52:31 +02:00 |
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b2393ba88d
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fix typo
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2023-06-26 15:59:30 +02:00 |
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2f246780eb
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fix bug in get_excitation_general
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2023-06-13 14:05:13 +02:00 |
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4d9e28438c
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Improved I/O in CCSD
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2023-06-12 14:05:36 +02:00 |
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a8948d0916
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cholesky in big_array
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2023-05-17 16:55:29 +02:00 |
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7381405479
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Removed collapse in ccsd
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2023-05-15 19:37:34 +02:00 |
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f0d9b37678
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provider open shell
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2023-03-13 14:03:54 +01:00 |
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0682ee18ab
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utils cc
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2023-03-13 09:38:35 +01:00 |
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