Yann Garniron
8df49f394b
removed useless computation of intermediate checkpoints
2018-09-02 15:58:48 +02:00
Yann Garniron
4ba5b79eb3
dressing only sent for chosen checkpoint
2018-09-02 15:53:13 +02:00
Yann Garniron
a4a6a69459
cumulative dot_F
2018-09-01 17:01:56 +02:00
Yann Garniron
6a7f04cb79
simpler purge
2018-09-01 16:58:07 +02:00
Yann Garniron
168ca2f2e2
task list optimized
2018-08-31 21:07:01 +02:00
Yann Garniron
de4a0d0caf
removed print
2018-08-31 18:57:03 +02:00
Yann Garniron
fee31d4e3e
dress fragmentation
2018-08-31 18:56:23 +02:00
Yann Garniron
02893a419d
bug in blocked search - replaced with thesis version
2018-08-31 15:52:16 +02:00
Yann Garniron
bb6e073cf1
ungodly hack to prevent double providing
2018-08-30 21:24:45 +02:00
Yann Garniron
0609e8c627
debugging
2018-08-30 20:52:05 +02:00
Yann Garniron
a254fdd7cf
parallel bug
2018-08-30 15:24:07 +02:00
Yann Garniron
2a6c1941d4
corrected when relative_error=0d0
2018-08-30 11:43:11 +02:00
Yann Garniron
bac039bdf1
relative error 1d-5
2018-08-30 10:58:17 +02:00
Yann Garniron
aae9d203ec
potential fragmentation bug
2018-08-30 10:07:02 +02:00
Yann Garniron
ad69f39f99
dress_zmq re-implemented
2018-08-29 20:54:58 +02:00
Yann Garniron
d903d43443
psi_det_sorted_gen
2018-05-25 17:40:27 +02:00
Yann Garniron
3044e7e72a
removed limit to deterministic set size
2018-05-23 13:13:30 +02:00
Yann Garniron
f45fc46b4f
multistate shifted_bk
2018-05-17 16:02:51 +02:00
Yann Garniron
7cc33f1ab3
shifted-bk selection iterates
2018-05-14 13:00:04 +02:00
Yann Garniron
9823fed7be
merged with master
2018-05-09 15:03:31 +02:00
Yann Garniron
d5f66787fe
real(4) dressing restored
2018-05-02 14:32:41 +02:00
Yann Garniron
727c9a84cd
improved synchronization
2018-05-01 17:43:46 +02:00
Yann Garniron
c2343ae337
removed barrier at end of checkpoint
2018-05-01 15:08:41 +02:00
Yann Garniron
c14fe5b99f
per checkpoint dressing communication - buggy
2018-05-01 13:16:10 +02:00
Yann Garniron
f61661a832
OMP master
2018-04-30 13:25:58 +02:00
Yann Garniron
9966697ab2
real(4) dressing
2018-04-30 09:33:25 +02:00
Yann Garniron
12e527157c
sparse vectors
2018-04-29 17:09:46 +02:00
Yann Garniron
274bb043c2
reduce tasks
2018-04-27 12:41:39 +02:00
7411dd2891
analyze_wf
2018-04-09 18:34:45 +02:00
Yann Garniron
2e3c54e278
fixed custom buffers
2018-04-04 11:32:27 +02:00
Yann Garniron
4aa4c6c96e
custom buffers in dress_zmq
2018-03-30 18:22:14 +02:00
Yann Garniron
de1b5d6874
further small improvements
2018-03-28 16:23:30 +02:00
Yann Garniron
4394c04728
reduced bandwidth and checkpoint updates
2018-03-27 16:22:14 +02:00
Yann Garniron
a865a842d2
undressing with s2_eig
2018-03-26 13:08:26 +02:00
5a8ab847b9
Multistate dressing OK
2018-03-23 13:47:47 +01:00
Yann Garniron
2bf17db149
unfinished shifted_bk stochastic selection - no undressing
2018-03-22 14:07:20 +01:00
Yann Garniron
c786e9fe58
shifted_bk_slave
2018-03-21 12:06:26 +01:00
Anthony Scemama
437df9439d
corrected bitmask in Full_CI_ZMQ - seemingly working shiftedbk ( #68 )
...
* corrected bitmask in Full_CI_ZMQ - seemingly working shiftedbk
* removed set_generators_bitmasks_as_holes_and_particles from dress_zmq
* removed dress_zmq dependency to MRCC_Utils
2018-03-20 13:11:53 +01:00
Yann Garniron
a3d7954faf
removed dress_zmq dependency to MRCC_Utils
2018-03-20 12:08:09 +01:00
Yann Garniron
9ca7b74362
removed set_generators_bitmasks_as_holes_and_particles from dress_zmq
2018-03-20 11:54:37 +01:00
Yann Garniron
ade11beb25
corrected bitmask in Full_CI_ZMQ - seemingly working shiftedbk
2018-03-15 17:47:32 +01:00
9fd2a7ef39
Merge branch 'alpha_factory' of https://github.com/garniron/quantum_package into garniron-alpha_factory
...
Conflicts:
plugins/dress_zmq/alpha_factory.irp.f
plugins/dress_zmq/dress_stoch_routines.irp.f
plugins/mrcepa0/mrcc_stoch_routines.irp.f
2018-03-05 17:26:43 +01:00
8f6e7f4a40
Added Bk module
2018-03-05 17:04:26 +01:00
Yann Garniron
1a0f36dfa5
init shiftedbk
2018-03-02 15:29:58 +01:00
Yann Garniron
22b2870b9f
corrected assert(N_states>1)
2018-03-01 11:35:00 +01:00
ebf96776dd
Fixed Travis
2018-02-27 19:13:31 +01:00
02ff02256d
Merge branch 'alpha_factory' of github.com:garniron/quantum_package
2018-02-26 19:06:11 +01:00
Yann Garniron
2dc927f80a
wrong ezfio variables were set
2018-02-26 14:18:49 +01:00
Yann Garniron
bd767bbb36
i_h_j_s2 - optimization in mrcc_sto
2018-02-26 11:33:32 +01:00
Yann Garniron
4ddeb5c2e5
minilist indices in psi_det
2018-02-23 14:02:51 +01:00