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fa6d141949
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Introducing GPU in CCSD
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2024-06-27 15:45:52 +02:00 |
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5d80cb7b2d
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Separated gpu and gpu_arch
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2024-06-27 12:06:06 +02:00 |
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c6712b0d60
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Merge branch 'master' into dev-stable
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2024-06-18 13:27:21 +02:00 |
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38aa8ef547
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Update ccsd_space_orb_sub.irp.f
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2024-06-06 16:36:45 +02:00 |
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ed8cfdc599
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Added print of the error bar in (T)
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2024-05-27 12:58:07 +02:00 |
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1e390d8357
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Reduce memory
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2023-07-11 23:50:31 +02:00 |
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8c65e01eed
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I/O in Cholesky
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2023-07-11 17:31:58 +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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44956060e7
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Removed vvv arrays
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2023-07-10 22:50:15 +02:00 |
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9ce6eb78c8
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Cholesky in CCSD
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2023-07-10 13:30:51 +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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0242e9c376
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Changed formats E to ES
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2023-07-04 22:17:31 +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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5817bbf573
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Reduced memory in CCSD
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2023-05-17 17:50:35 +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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46cbd80b95
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Accelerated Cholesky
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2023-05-17 10:44:32 +02:00 |
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ee790fa1d8
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Formatted output in (T)
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2023-05-16 19:58:40 +02:00 |
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e3c0df574e
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Implementing stochastic (T)
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2023-05-16 01:40:40 +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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6289508c1e
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Swapped indices in CCSD(T)
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2023-05-13 13:54:24 +02:00 |
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fadbddc869
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add ccsd
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2023-03-13 14:08:32 +01:00 |
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