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