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bb8654b17c
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Debugging
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2019-11-20 16:42:28 +01:00 |
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61ba79ee59
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Added three-e contrbutions
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2019-11-04 23:51:47 +01:00 |
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8b49ac8f77
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Dressed integrals in F12
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2019-10-03 16:58:15 +02:00 |
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72307bcec8
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[@tailcall] statements
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2019-09-10 18:39:14 +02:00 |
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f88409bfbd
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F12 almost OK
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2019-05-27 17:35:28 +02:00 |
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76627c5e95
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Accelerated 4idx
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2019-04-05 17:05:04 +02:00 |
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37ccd24d3e
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Accelerated 4idx
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2019-04-05 16:54:38 +02:00 |
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ee98fbb33a
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Compressed integrals
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2019-04-05 15:36:47 +02:00 |
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0e34c3adca
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Separated 4, 3 and 2-idx integrals
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2019-04-05 14:36:47 +02:00 |
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a0b84249ec
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Accelerated direct FCI
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2019-04-05 10:34:47 +02:00 |
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1a4677dc19
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4-idx node-only
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2019-04-04 09:14:15 +02:00 |
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4a6f23dcdd
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Added SharedMemory
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2019-04-01 15:20:17 +02:00 |
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33387b6c24
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Memory mapped 4idx
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2019-03-29 17:38:19 +01:00 |
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0e34cde735
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Generalized F12
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2019-03-26 10:38:50 +01:00 |
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dc50c99b43
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Introduced reference PT2 energy
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2019-03-22 18:16:41 +01:00 |
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3874dd1d95
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Moved 4-idx into FourIndex.mli
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2019-03-21 00:44:10 +01:00 |
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e250864a19
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Minor changes
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2019-01-15 15:18:01 +01:00 |
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4f41af9e31
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Four-idx transformation
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2018-07-20 16:10:20 +02:00 |
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955f9d014b
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Added tests for AOBasis
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2018-07-05 00:39:44 +02:00 |
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871cb2b6d8
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Accelerated SCF
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2018-07-04 18:42:26 +02:00 |
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26bcd62db4
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Added small_core function
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2018-07-04 18:08:38 +02:00 |
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f94a5ac268
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Nuclei for T2
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2018-06-29 16:04:40 +02:00 |
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8ded68a447
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Added stream in Four_idx
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2018-06-28 14:43:24 +02:00 |
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e4a3e1da97
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Fixed overflow in Boys function
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2018-06-27 13:13:59 +02:00 |
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63f0b379de
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Accelerated FourIdxStorage
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2018-06-01 10:26:22 +02:00 |
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15390759f9
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Accelerated RHF
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2018-05-31 18:50:34 +02:00 |
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f4f31db614
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Changed integral storage to Float32
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2018-03-27 19:32:37 +02:00 |
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ab7abda328
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Cleaning in ERI
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2018-03-27 16:31:44 +02:00 |
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