Yann Garniron
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c2343ae337
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removed barrier at end of checkpoint
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2018-05-01 15:08:41 +02:00 |
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Yann Garniron
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c14fe5b99f
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per checkpoint dressing communication - buggy
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2018-05-01 13:16:10 +02:00 |
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Yann Garniron
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f61661a832
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OMP master
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2018-04-30 13:25:58 +02:00 |
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Yann Garniron
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9966697ab2
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real(4) dressing
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2018-04-30 09:33:25 +02:00 |
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Yann Garniron
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12e527157c
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sparse vectors
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2018-04-29 17:09:46 +02:00 |
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Yann Garniron
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274bb043c2
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reduce tasks
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2018-04-27 12:41:39 +02:00 |
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Yann Garniron
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46450f0826
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compute sum of alpha2
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2018-04-10 14:25:28 +02:00 |
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Yann Garniron
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2e3c54e278
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fixed custom buffers
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2018-04-04 11:32:27 +02:00 |
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Yann Garniron
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4aa4c6c96e
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custom buffers in dress_zmq
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2018-03-30 18:22:14 +02:00 |
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Yann Garniron
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de1b5d6874
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further small improvements
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2018-03-28 16:23:30 +02:00 |
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Yann Garniron
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4394c04728
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reduced bandwidth and checkpoint updates
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2018-03-27 16:22:14 +02:00 |
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Yann Garniron
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a865a842d2
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undressing with s2_eig
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2018-03-26 13:08:26 +02:00 |
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Yann Garniron
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611137fad0
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undressing without s2_eig
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2018-03-23 11:06:52 +01:00 |
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Yann Garniron
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2bf17db149
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unfinished shifted_bk stochastic selection - no undressing
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2018-03-22 14:07:20 +01:00 |
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Yann Garniron
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c786e9fe58
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shifted_bk_slave
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2018-03-21 12:06:26 +01:00 |
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Yann Garniron
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8b7cb82cf8
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bias when pt2_stoch does full computation
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2018-03-20 13:37:05 +01:00 |
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Yann Garniron
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a3d7954faf
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removed dress_zmq dependency to MRCC_Utils
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2018-03-20 12:08:09 +01:00 |
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Yann Garniron
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9ca7b74362
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removed set_generators_bitmasks_as_holes_and_particles from dress_zmq
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2018-03-20 11:54:37 +01:00 |
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Yann Garniron
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ade11beb25
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corrected bitmask in Full_CI_ZMQ - seemingly working shiftedbk
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2018-03-15 17:47:32 +01:00 |
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Anthony Scemama
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b29fb01e6f
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Trying to fix jbuilder bug in OCaml installation (#65)
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2018-03-11 19:30:24 +01:00 |
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5dabd614f8
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Bk
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2018-03-07 19:01:19 +01:00 |
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b509cb183b
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Merge branch 'garniron-alpha_factory'
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2018-03-05 17:26:57 +01:00 |
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9fd2a7ef39
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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
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2018-03-05 17:26:43 +01:00 |
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8f6e7f4a40
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Added Bk module
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2018-03-05 17:04:26 +01:00 |
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Yann Garniron
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bc626377f3
|
shiftedbk not working - may be removed later
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2018-03-05 12:43:31 +01:00 |
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Yann Garniron
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1a0f36dfa5
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init shiftedbk
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2018-03-02 15:29:58 +01:00 |
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Yann Garniron
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22b2870b9f
|
corrected assert(N_states>1)
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2018-03-01 11:35:00 +01:00 |
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c9416a5a68
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Comment to clarify Selectors_CASSD
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2018-02-28 16:12:46 +01:00 |
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005137061e
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@eginer 's generators_CAS
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2018-02-28 15:28:34 +01:00 |
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ebf96776dd
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Fixed Travis
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2018-02-27 19:13:31 +01:00 |
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02ff02256d
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Merge branch 'alpha_factory' of github.com:garniron/quantum_package
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2018-02-26 19:06:11 +01:00 |
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Yann Garniron
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2dc927f80a
|
wrong ezfio variables were set
|
2018-02-26 14:18:49 +01:00 |
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Yann Garniron
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bd767bbb36
|
i_h_j_s2 - optimization in mrcc_sto
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2018-02-26 11:33:32 +01:00 |
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Yann Garniron
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4ddeb5c2e5
|
minilist indices in psi_det
|
2018-02-23 14:02:51 +01:00 |
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Yann Garniron
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bd1aefc567
|
det_minilist
|
2018-02-22 15:29:20 +01:00 |
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Yann Garniron
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381c985999
|
mrcc_sto bug for multistate
|
2018-02-22 14:05:45 +01:00 |
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Yann Garniron
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b177ee3f51
|
missing files + small optimisation
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2018-02-22 13:41:11 +01:00 |
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1d2cdbf53d
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Merge branch 'master' of github.com:LCPQ/quantum_package
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2018-02-21 16:47:05 +01:00 |
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8524f43715
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Fixed dependencies in modules
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2018-02-21 16:45:51 +01:00 |
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Yann Garniron
|
ea99cc29b3
|
working and less slow mrcc_sto
|
2018-02-20 17:34:51 +01:00 |
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Yann Garniron
|
5150497318
|
working but super slow mrcc_sto
|
2018-02-20 15:51:53 +01:00 |
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Yann Garniron
|
55a3af4190
|
Merge branch 'master' of https://github.com/scemama/quantum_package into alpha_factory
|
2018-02-19 17:16:31 +01:00 |
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Yann Garniron
|
10ffd8f789
|
non-working mrcc_sto
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2018-02-19 17:15:59 +01:00 |
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187d7dc66f
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Moved DavidsonDressed in plugins
|
2018-02-19 15:14:17 +01:00 |
|
Thomas Applencourt
|
60a55b1215
|
Add a symlink lib64->lib (#231)
|
2018-02-16 21:57:20 +01:00 |
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218f39770c
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Cleaning
|
2018-02-16 17:29:24 +01:00 |
|
Yann Garniron
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95a1cddf43
|
commented out computation of excitations
|
2018-02-16 11:50:49 +01:00 |
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Yann Garniron
|
5bd59241fa
|
removed duplicate determinants - questionable efficiency
|
2018-02-15 14:07:20 +01:00 |
|
Yann Garniron
|
a828a1c5c8
|
PQ leaves in alpha_factory - with duplicate determinants
|
2018-02-15 13:42:55 +01:00 |
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ab0eb1256b
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Fixed state_average_weight.gz different from array
|
2018-02-15 12:00:45 +01:00 |
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