Anthony Scemama
|
d896285b73
|
Set theme jekyll-theme-modernist
|
2018-10-19 17:02:13 +02:00 |
|
|
|
030ce60c31
|
Start writing documentation for ReadTheDocs.
|
2018-10-19 01:06:18 +02:00 |
|
|
|
996bb68684
|
Conlict with python decorator package
|
2018-10-18 11:16:52 +02:00 |
|
|
|
1e0597dfee
|
Fixed masks in MRCC
|
2018-10-17 20:06:39 +02:00 |
|
|
|
ec0db34ce5
|
OCaml version
|
2018-10-17 19:33:45 +02:00 |
|
|
|
a289df5503
|
Updated OCaml
|
2018-10-17 19:27:58 +02:00 |
|
|
|
bfa9fa8637
|
Cleaned one-electron integrals
|
2018-10-17 18:51:41 +02:00 |
|
|
|
75790e6972
|
Fixed ao_overlap ezfio problem
|
2018-10-17 16:16:05 +02:00 |
|
|
|
6566529ec4
|
1e integrals in EZFIO
|
2018-10-17 15:56:55 +02:00 |
|
|
|
ee13470949
|
2RDM
|
2018-10-16 16:40:04 +02:00 |
|
|
|
e2b4b1f58d
|
Init lindex=0
|
2018-10-15 19:04:05 +02:00 |
|
|
|
fc01113383
|
Fixed quicksort openmp
|
2018-10-15 14:49:08 +02:00 |
|
|
|
b3d17a6479
|
Fixed quicksort openmp
|
2018-10-15 12:16:21 +02:00 |
|
|
|
22b9eb4fb9
|
Fixed bug related to ncache
|
2018-10-15 11:33:10 +02:00 |
|
|
|
665ece19e5
|
Merge branch 'master' of github.com:scemama/quantum_package
|
2018-10-15 11:20:27 +02:00 |
|
|
|
3a23f4933e
|
FCIdump module updated from @eginer
|
2018-10-15 11:18:45 +02:00 |
|
|
|
d72c1884a1
|
Monte Carlo runs in parallel
|
2018-10-13 11:48:46 +02:00 |
|
|
|
a016472d46
|
MonteCarlo in parallel
|
2018-10-13 00:17:45 +02:00 |
|
|
|
74858cb943
|
Added initiator tasks
|
2018-10-12 12:15:37 +02:00 |
|
|
|
d717a9c138
|
Update alpha factory
|
2018-10-12 11:58:48 +02:00 |
|
|
|
f08d29d1a9
|
Update alpha factory
|
2018-10-12 11:55:04 +02:00 |
|
|
|
09c0de9054
|
Parallelism and static
|
2018-10-10 10:28:05 +02:00 |
|
|
|
651fabe295
|
Updated shiftedbk slave
|
2018-10-07 20:23:22 +02:00 |
|
|
|
8d5625b55d
|
Merge branch 'master' of https://github.com/scemama/quantum_package
|
2018-10-05 23:05:04 +02:00 |
|
|
|
fadb96856d
|
Retry with zmq_abort
|
2018-10-05 22:44:15 +02:00 |
|
|
|
2a54a2e449
|
Improved sort
|
2018-10-05 10:15:53 +02:00 |
|
|
|
84db0e88ee
|
Added README
|
2018-10-04 16:35:54 +02:00 |
|
|
|
b1473c57c0
|
Fix travis
|
2018-10-04 16:13:16 +02:00 |
|
|
|
71264bb8fe
|
Merge branch 'master' of github.com:scemama/quantum_package
|
2018-10-04 16:12:33 +02:00 |
|
|
|
62f60d049b
|
Merge branch 'master' of github.com:scemama/quantum_package
|
2018-10-04 13:49:40 +02:00 |
|
|
|
40149c7daf
|
Improved parallel scaling of Davidson
|
2018-10-04 13:17:43 +02:00 |
|
|
|
600512300c
|
Improved parallel scaling of Davidson
|
2018-10-04 01:35:24 +02:00 |
|
|
|
152ba01c17
|
Optimized Davidson
|
2018-10-04 00:29:30 +02:00 |
|
|
|
c688c057a8
|
Better scaling of Davidson
|
2018-10-03 22:44:26 +02:00 |
|
|
|
0a075913c1
|
openmp guided
|
2018-10-03 13:43:42 +02:00 |
|
|
|
d3c74ae300
|
Removed extra diagonalization
|
2018-10-02 23:03:44 +02:00 |
|
|
|
d2e3ed360c
|
Pack tasks
|
2018-10-02 22:48:45 +02:00 |
|
|
|
b6bcff1ba2
|
Accelerated selection
|
2018-10-02 21:58:30 +02:00 |
|
|
|
271b004cfb
|
Fixed parallel SBK
|
2018-10-02 14:50:37 +02:00 |
|
|
|
64fd675e3b
|
Merge branch 'master' of github.com:scemama/quantum_package
|
2018-09-30 22:40:46 +02:00 |
|
|
|
4994e096cd
|
Fragments
|
2018-09-30 22:40:34 +02:00 |
|
|
|
189eb27cec
|
Better fragmentation
|
2018-09-30 19:33:48 +02:00 |
|
|
|
554664f8bb
|
Fixed tests
|
2018-09-29 15:00:48 +02:00 |
|
|
|
8e74682fc5
|
changed default PT2 error
|
2018-09-29 01:34:28 +02:00 |
|
|
|
3c6e775291
|
Fixed tests
|
2018-09-29 01:03:25 +02:00 |
|
|
|
4bd3c9e275
|
Fixed MRCC_ZMQ
|
2018-09-29 00:43:31 +02:00 |
|
|
|
6de4260e17
|
MRCC fixed
|
2018-09-29 00:32:17 +02:00 |
|
|
|
db10fcceeb
|
Working on fix for MRCC but maybe broke ShiftedBk.
|
2018-09-28 19:21:55 +02:00 |
|
|
|
26e51230a8
|
Merge branch 'master' of github.com:scemama/quantum_package
|
2018-09-28 09:09:39 +02:00 |
|
|
|
5d6729e927
|
Working on mrcc
|
2018-09-28 09:09:27 +02:00 |
|
