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349f956e1c
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Super fast cholesky
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2023-07-11 22:33:43 +02:00 |
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9e833cc476
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Improve memory control
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2023-07-11 22:17:40 +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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b4a2e9bd76
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Fixed cholesky for tiny thresholds
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2023-07-10 23:32:05 +02:00 |
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4237fa888f
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Get total memory
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2023-07-07 19:05:46 +02:00 |
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905d88529f
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Reduced memory in cholesky SCF
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2023-07-07 17:47:51 +02:00 |
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e35f847341
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Enabled direct integrals in Cholesky
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2023-07-06 17:51:59 +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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0132eb87fe
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Symmetry in cholesky
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2023-07-05 02:53:28 +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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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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9b0c270662
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Block cholesky
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2023-07-04 10:46:05 +02:00 |
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06720f3f21
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integer8 in cholesky
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2023-07-04 01:22:12 +02:00 |
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837ec89f1b
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Accelerate Cholesky
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2023-07-03 21:04:50 +02:00 |
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3c7a10934f
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Accelerated Cholesky
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2023-07-03 19:54:00 +02:00 |
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487e85c6ae
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Cholesky OK
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2023-07-03 18:19:31 +02:00 |
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d911f4eee8
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Rewrote Cholesky
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2023-07-03 17:41:34 +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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46cbd80b95
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Accelerated Cholesky
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2023-05-17 10:44:32 +02:00 |
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c80ebe27b8
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Introducing Cholesky-decomposed SCF
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2023-04-28 11:39:53 +02:00 |
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