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7b9bb6aca6
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F12 with modifiable parameters
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2020-05-08 01:16:55 +02:00 |
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a2859ad69c
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Use Patched version of ocamlmpi
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2020-02-04 11:46:24 +01:00 |
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774d977d99
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Parallel debugging
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2020-02-03 17:35:59 +01:00 |
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61ac91e572
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Added frozen-core option to run
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2020-01-13 11:39:40 +01:00 |
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a03cf66eab
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Working on nb
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2019-12-03 09:13:57 +01:00 |
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acb2314be4
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Adapt for Notebooks
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2019-12-02 14:58:48 +01:00 |
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0462e19117
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Removed duplicated code
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2019-10-24 11:25:49 +02:00 |
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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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d1efe67e5a
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Working on f12.
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2019-05-07 17:00:44 +02:00 |
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f77b7f07d5
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Matrix product in batches
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2019-03-28 09:37:43 +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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7fbab4236f
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F12 seems ok
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2019-03-25 15:20:01 +01:00 |
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e09a9011e4
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F12-FCI maybe works
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2019-03-22 00:34:00 +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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4c5bade8fb
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CAS+EN2 in the presence of auxiliary basis OK
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2019-03-20 19:18:36 +01:00 |
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