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96e2783d1e
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Add possibility of single precision cholesky vectors
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2025-02-13 15:05:27 +01:00 |
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0c6d513bbf
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Implemented single precision for cholesky mo
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2025-01-24 19:07:16 +01:00 |
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eginer
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d219dc1026
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beginning to put cholesky in CASSCF
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2024-07-11 13:57:28 +02:00 |
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90c3db3103
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Accelerated cache
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2024-06-11 14:38:50 +02:00 |
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82654efdf9
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Optimized get_integrals
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2024-06-11 13:06:32 +02:00 |
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ca98a6b529
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Fixed previous commit
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2024-06-07 16:46:25 +02:00 |
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b080a7a5e9
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Clean Cholesky MO
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2024-06-07 16:34:14 +02:00 |
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f58df5e816
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Added do_mo_cholesky
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2024-06-07 16:09:53 +02:00 |
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eginer
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1e886ac128
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implemented the f_hf_sparse for open systems in basis set correction
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2024-05-27 10:21:29 +02:00 |
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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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a2c4a74d92
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Fixed writing MOs for large sizes'
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2023-07-06 17:13:48 +02:00 |
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5a0c8de5a3
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Accelerated cholesky AO-MO transformation
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2023-07-05 19:12:03 +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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d2494ac323
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Merge branch 'dev-stable' of github.com:quantumpackage/qp2 into dev-stable
Conflicts:
src/ao_two_e_ints/cholesky.irp.f
src/mo_two_e_ints/cholesky.irp.f
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2023-05-26 11:49:51 +02:00 |
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f2ca86ef60
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Improved cholesky
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2023-05-26 11:48:08 +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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0330ac6ccc
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4idx transformation with cholesky
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2023-05-04 15:50:40 +02:00 |
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