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42f8edc594
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Single excitations OK in fast notebook
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2020-01-07 16:45:14 +01:00 |
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eebd6c6c6c
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F12 degree 0 done in notebook
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2020-01-06 19:43:55 +01:00 |
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d02620655c
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Working on F12 nb
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2019-12-20 16:09:02 +01:00 |
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e7ff462c9b
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Working on F12 notebook
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2019-12-19 19:23:02 +01:00 |
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fade04dda5
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F12 Diagrams to fix + dressing integrals
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2019-12-18 19:04:32 +01:00 |
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3edbf9ca78
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All F12 diagrams OK
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2019-12-18 12:56:35 +01:00 |
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3b22e014b4
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Working on F12 notebook
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2019-12-17 19:03:55 +01:00 |
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efe0be4bb2
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Working on f12 notebook
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2019-12-12 18:41:14 +01:00 |
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e66d790cb7
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Working on notebook
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2019-12-12 16:28:30 +01:00 |
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56b6bb41a6
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Working on F12 notebook
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2019-12-09 19:37:58 +01:00 |
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2e6ccb1770
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Improved F12 Notebook
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2019-12-05 22:45:30 +01:00 |
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e3a0b4a6c0
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Working on f12 notebook
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2019-12-05 16:16:00 +01:00 |
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be8b2d8b2b
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Fixed DIIS
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2019-12-05 15:10:14 +01:00 |
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1db40e023f
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Added images for Notebook
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2019-12-05 09:38:39 +01:00 |
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537c5540c4
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Notebook 0 2 22 and 1 2 22 OK
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2019-12-04 18:13:54 +01:00 |
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e1efc10289
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Notebook
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2019-12-03 18:52:03 +01:00 |
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536cad3098
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Notebook
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2019-12-03 14:40:08 +01:00 |
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c0080617ab
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Fixed bytecode C binding
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2019-12-03 12:25:31 +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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1de449b0b9
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Merge branch 'master' of gitlab.com:scemama/QCaml
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2019-12-02 10:07:53 +01:00 |
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241cd67613
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Makefile OK for notebooks
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2019-11-30 10:41:07 +01:00 |
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6dc872bae9
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Notebook
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2019-11-26 01:08:31 +01:00 |
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f19ddc125f
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Merge branch 'master' of gitlab.com:scemama/QCaml
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2019-11-25 18:45:27 +01:00 |
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c6d31b809f
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Added SpVec notebook
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2019-11-25 18:44:46 +01:00 |
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bb8654b17c
|
Debugging
|
2019-11-20 16:42:28 +01:00 |
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2d5e13c1ff
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Merge branch 'master' of gitlab.com:scemama/QCaml
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2019-11-14 13:00:22 +01:00 |
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35e63bf4fc
|
--amend
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2019-11-14 13:00:10 +01:00 |
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28aa42c2f9
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Merge branch 'master' of gitlab.com:scemama/QCaml
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2019-11-14 10:59:37 +01:00 |
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08e41378dd
|
Rephasing
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2019-11-14 10:58:57 +01:00 |
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f93b2fe0a6
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Small optimizations
|
2019-11-13 11:07:39 +01:00 |
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36800c6d79
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Fix 3e contributions
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2019-11-05 17:14:37 +01:00 |
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3b372f89e7
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Added three-e contrbutions
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2019-11-05 01:30:55 +01:00 |
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61ba79ee59
|
Added three-e contrbutions
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2019-11-04 23:51:47 +01:00 |
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d6dd38d706
|
Merge branch 'master' of gitlab.com:scemama/QCaml
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2019-10-27 21:13:54 +01:00 |
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a1349ea69e
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Changed data structure of sparse_vector
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2019-10-24 23:08:24 +02:00 |
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0462e19117
|
Removed duplicated code
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2019-10-24 11:25:49 +02:00 |
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286bcaba5a
|
Cleaned code
|
2019-10-14 14:16:28 +02:00 |
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dd98ac29fc
|
FCIF12 OK
|
2019-10-10 02:01:17 +02:00 |
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8b49ac8f77
|
Dressed integrals in F12
|
2019-10-03 16:58:15 +02:00 |
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72307bcec8
|
[@tailcall] statements
|
2019-09-10 18:39:14 +02:00 |
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316a3df20d
|
Merge lpqsv26:QCaml
|
2019-08-26 22:58:50 +02:00 |
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4cfb4cd241
|
fixed davidson in f12
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2019-08-26 22:34:41 +02:00 |
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1e778594ec
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Merge branch 'master' of gitlab.com:scemama/QCaml
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2019-08-21 23:16:53 +02:00 |
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16a0fbacaa
|
Merge branch 'master' of gitlab.com:scemama/QCaml
|
2019-08-21 23:16:45 +02:00 |
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701ac05e23
|
Beryllium singlet/triplet ok
|
2019-08-17 11:48:13 +02:00 |
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8f9a28f340
|
Working n f12
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2019-08-05 13:24:41 +02:00 |
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58f51dbecf
|
minor changes
|
2019-06-19 14:04:57 +02:00 |
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91a2ec1288
|
Introduced phantom types for Bohr/Angstrom
|
2019-06-18 14:29:57 +02:00 |
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5df7cecd9f
|
Modified integrals
|
2019-05-29 16:43:44 +02:00 |
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