|
|
a03cf66eab
|
Working on nb
|
2019-12-03 09:13:57 +01:00 |
|
|
|
acb2314be4
|
Adapt for Notebooks
|
2019-12-02 14:58:48 +01:00 |
|
|
|
1de449b0b9
|
Merge branch 'master' of gitlab.com:scemama/QCaml
|
2019-12-02 10:07:53 +01:00 |
|
|
|
241cd67613
|
Makefile OK for notebooks
|
2019-11-30 10:41:07 +01:00 |
|
|
|
6dc872bae9
|
Notebook
|
2019-11-26 01:08:31 +01:00 |
|
|
|
f19ddc125f
|
Merge branch 'master' of gitlab.com:scemama/QCaml
|
2019-11-25 18:45:27 +01:00 |
|
|
|
c6d31b809f
|
Added SpVec notebook
|
2019-11-25 18:44:46 +01:00 |
|
|
|
bb8654b17c
|
Debugging
|
2019-11-20 16:42:28 +01:00 |
|
|
|
2d5e13c1ff
|
Merge branch 'master' of gitlab.com:scemama/QCaml
|
2019-11-14 13:00:22 +01:00 |
|
|
|
35e63bf4fc
|
--amend
|
2019-11-14 13:00:10 +01:00 |
|
|
|
28aa42c2f9
|
Merge branch 'master' of gitlab.com:scemama/QCaml
|
2019-11-14 10:59:37 +01:00 |
|
|
|
08e41378dd
|
Rephasing
|
2019-11-14 10:58:57 +01:00 |
|
|
|
f93b2fe0a6
|
Small optimizations
|
2019-11-13 11:07:39 +01:00 |
|
|
|
36800c6d79
|
Fix 3e contributions
|
2019-11-05 17:14:37 +01:00 |
|
|
|
3b372f89e7
|
Added three-e contrbutions
|
2019-11-05 01:30:55 +01:00 |
|
|
|
61ba79ee59
|
Added three-e contrbutions
|
2019-11-04 23:51:47 +01:00 |
|
|
|
d6dd38d706
|
Merge branch 'master' of gitlab.com:scemama/QCaml
|
2019-10-27 21:13:54 +01:00 |
|
|
|
a1349ea69e
|
Changed data structure of sparse_vector
|
2019-10-24 23:08:24 +02:00 |
|
|
|
0462e19117
|
Removed duplicated code
|
2019-10-24 11:25:49 +02:00 |
|
|
|
286bcaba5a
|
Cleaned code
|
2019-10-14 14:16:28 +02:00 |
|
|
|
dd98ac29fc
|
FCIF12 OK
|
2019-10-10 02:01:17 +02:00 |
|
|
|
8b49ac8f77
|
Dressed integrals in F12
|
2019-10-03 16:58:15 +02:00 |
|
|
|
72307bcec8
|
[@tailcall] statements
|
2019-09-10 18:39:14 +02:00 |
|
|
|
316a3df20d
|
Merge lpqsv26:QCaml
|
2019-08-26 22:58:50 +02:00 |
|
|
|
4cfb4cd241
|
fixed davidson in f12
|
2019-08-26 22:34:41 +02:00 |
|
|
|
1e778594ec
|
Merge branch 'master' of gitlab.com:scemama/QCaml
|
2019-08-21 23:16:53 +02:00 |
|
|
|
16a0fbacaa
|
Merge branch 'master' of gitlab.com:scemama/QCaml
|
2019-08-21 23:16:45 +02:00 |
|
|
|
701ac05e23
|
Beryllium singlet/triplet ok
|
2019-08-17 11:48:13 +02:00 |
|
|
|
8f9a28f340
|
Working n f12
|
2019-08-05 13:24:41 +02:00 |
|
|
|
58f51dbecf
|
minor changes
|
2019-06-19 14:04:57 +02:00 |
|
|
|
91a2ec1288
|
Introduced phantom types for Bohr/Angstrom
|
2019-06-18 14:29:57 +02:00 |
|
|
|
5df7cecd9f
|
Modified integrals
|
2019-05-29 16:43:44 +02:00 |
|
|
|
e9a835d7b8
|
Missing file
|
2019-05-29 09:07:47 +02:00 |
|
|
|
55b58268f8
|
F12 without singles
|
2019-05-29 09:04:43 +02:00 |
|
|
|
f88409bfbd
|
F12 almost OK
|
2019-05-27 17:35:28 +02:00 |
|
|
|
ec19195a6f
|
Cholesky OK
|
2019-05-13 15:54:02 +02:00 |
|
|
|
5289d36b76
|
F12 correct
|
2019-05-09 10:49:53 +02:00 |
|
|
|
d1efe67e5a
|
Working on f12.
|
2019-05-07 17:00:44 +02:00 |
|
|
|
dea45d7b52
|
Working on pivoted LDL
|
2019-05-07 16:59:40 +02:00 |
|
|
|
c517a6d6a5
|
Working on pivoted Cholesky
|
2019-04-12 18:48:23 +02:00 |
|
|
|
41fde2d11a
|
Added Cholesky
|
2019-04-12 17:53:00 +02:00 |
|
|
|
81edd8966d
|
Better error message
|
2019-04-05 18:05:56 +02:00 |
|
|
|
76627c5e95
|
Accelerated 4idx
|
2019-04-05 17:05:04 +02:00 |
|
|
|
37ccd24d3e
|
Accelerated 4idx
|
2019-04-05 16:54:38 +02:00 |
|
|
|
11367c6ff7
|
Handle at_exit with Ctrl-C
|
2019-04-05 15:53:15 +02:00 |
|
|
|
ee98fbb33a
|
Compressed integrals
|
2019-04-05 15:36:47 +02:00 |
|
|
|
0e34c3adca
|
Separated 4, 3 and 2-idx integrals
|
2019-04-05 14:36:47 +02:00 |
|
|
|
a0b84249ec
|
Accelerated direct FCI
|
2019-04-05 10:34:47 +02:00 |
|
|
|
e64e6c73dc
|
Parallel and single-core give exact same result
|
2019-04-04 14:35:13 +02:00 |
|
|
|
e56e01197d
|
Minor changes
|
2019-04-04 13:14:01 +02:00 |
|
