|
|
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 |
|
|
|
67b300b5dd
|
Merge branch 'thesis' of git://github.com/garniron/quantum_package
|
2018-09-27 14:51:39 +02:00 |
|
Yann Garniron
|
65765b9261
|
to be cleaned - addition mrcc
|
2018-09-27 14:32:41 +02:00 |
|
Yann Garniron
|
1d6de29c46
|
removed debug
|
2018-09-27 12:11:04 +02:00 |
|
Yann Garniron
|
c8d64668d0
|
same as previous but including the files
|
2018-09-27 12:09:05 +02:00 |
|
Yann Garniron
|
e1c84a8b1c
|
thesis-like mrcc
|
2018-09-27 11:38:56 +02:00 |
|
|
|
04d810ed6f
|
Removed unused use
|
2018-09-26 18:40:23 +02:00 |
|
Anthony Scemama
|
f8855e37a1
|
Merge pull request #74 from garniron/thesis
Thesis
|
2018-09-26 18:32:07 +02:00 |
|
Yann Garniron
|
cfc37ea57c
|
Merge github.com:scemama/quantum_package into thesis
Conflicts:
plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f
plugins/Full_CI_ZMQ/run_pt2_slave.irp.f
plugins/Full_CI_ZMQ/run_selection_slave.irp.f
plugins/Full_CI_ZMQ/selection.irp.f
plugins/Generators_full/generators.irp.f
plugins/dress_zmq/dress_stoch_routines.irp.f
plugins/dress_zmq/dressing.irp.f
plugins/dress_zmq/run_dress_slave.irp.f
plugins/shiftedbk/shifted_bk_routines.irp.f
src/Determinants/slater_rules.irp.f
|
2018-09-26 18:12:49 +02:00 |
|
|
|
d0a5e7d253
|
Removed prints
|
2018-09-26 16:39:57 +02:00 |
|
|
|
118bdba3f9
|
Removed prints
|
2018-09-26 16:15:53 +02:00 |
|
|
|
502fd9d1fd
|
Fixed sBK
|
2018-09-26 15:53:54 +02:00 |
|
|
|
7fc89d857e
|
Type errors
|
2018-09-25 16:08:00 +02:00 |
|
|
|
fb836d063e
|
Bug
|
2018-09-25 12:49:47 +02:00 |
|
|
|
4a48a6b94f
|
Fixed shiftedBk
|
2018-09-25 09:56:12 +02:00 |
|
|
|
2058af1af5
|
Memory control not needed on slaves
|
2018-09-23 22:27:41 +02:00 |
|
|
|
5e19eb4aaa
|
Fixed bug introduced in 98b2384d43
|
2018-09-21 11:13:38 +02:00 |
|
|
|
1139d31fbb
|
size(kind=8)
|
2018-09-21 10:43:30 +02:00 |
|
|
|
b529bf4f96
|
Merge branch 'master' of https://github.com/scemama/quantum_package
|
2018-09-21 10:05:11 +02:00 |
|
|
|
98b2384d43
|
Optimized S2
|
2018-09-21 10:02:55 +02:00 |
|
|
|
d807a6e7e3
|
Merge branch 'master' of github.com:scemama/quantum_package
|
2018-09-21 08:50:22 +02:00 |
|
|
|
4308fa9a1f
|
Can diagonalize much larger spaces (ZMQ)
|
2018-09-19 15:52:13 +02:00 |
|
|
|
a968003838
|
Merge lpqlx139:quantum_package
|
2018-09-19 12:42:34 +02:00 |
|
|
|
b719eea821
|
Debug ZMQ
|
2018-09-19 12:40:17 +02:00 |
|
|
|
e89d623be5
|
NOFT (#73)
* Fixed travis
* NOFT by T2
* Bug with n_tasks_max
|
2018-09-19 10:08:07 +02:00 |
|
|
|
47511da133
|
Wrong type
|
2018-09-19 09:52:50 +02:00 |
|
|
|
9a77f8d342
|
Fixed broken selection introduced in f3e22a8
|
2018-09-19 09:40:19 +02:00 |
|
|
|
52b5283fe6
|
Minor changes
|
2018-09-19 09:25:32 +02:00 |
|
|
|
f3e22a81f7
|
Improved parallel scaling
|
2018-09-18 00:03:39 +02:00 |
|
|
|
df7d5cd117
|
Fixed multi-state efficiency
|
2018-09-17 15:15:25 +02:00 |
|
|
|
fa7144ece6
|
Refinement of psi_generators
|
2018-09-17 14:43:39 +02:00 |
|
|
|
0e0e8fb7b6
|
Fixed variable character string
|
2018-09-14 19:44:55 +02:00 |
|
|
|
5c769d531c
|
Fixed bug in truncate_wf
|
2018-09-14 19:07:55 +02:00 |
|
|
|
b292a4e4e5
|
Truncate eigenfnuction of S^2
|
2018-09-14 18:08:19 +02:00 |
|
|
|
952a44c13b
|
Cleaning
|
2018-09-14 16:59:56 +02:00 |
|
|
|
0b64d752b7
|
Fixed too large stack
|
2018-09-14 16:54:09 +02:00 |
|
|
|
06ffc784eb
|
Fixed sBk
|
2018-09-14 15:51:09 +02:00 |
|
|
|
2cb6b48ecb
|
Fixed Fragments
|
2018-09-10 17:02:16 +02:00 |
|
