Yann Garniron
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727c9a84cd
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improved synchronization
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2018-05-01 17:43:46 +02:00 |
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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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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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2bf17db149
|
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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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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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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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
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corrected assert(N_states>1)
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2018-03-01 11:35:00 +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
|
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
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2018-02-23 14:02:51 +01:00 |
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Yann Garniron
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bd1aefc567
|
det_minilist
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2018-02-22 15:29:20 +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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Yann Garniron
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ea99cc29b3
|
working and less slow mrcc_sto
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2018-02-20 17:34:51 +01:00 |
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Yann Garniron
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5150497318
|
working but super slow mrcc_sto
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2018-02-20 15:51:53 +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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Yann Garniron
|
95a1cddf43
|
commented out computation of excitations
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2018-02-16 11:50:49 +01:00 |
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Yann Garniron
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5bd59241fa
|
removed duplicate determinants - questionable efficiency
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2018-02-15 14:07:20 +01:00 |
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Yann Garniron
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a828a1c5c8
|
PQ leaves in alpha_factory - with duplicate determinants
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2018-02-15 13:42:55 +01:00 |
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Yann Garniron
|
9e317da0cb
|
init alpha_factory - mrcc_sto working countdown
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2018-02-14 15:21:08 +01:00 |
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Yann Garniron
|
eacc63624c
|
minilisted dress_zmq - mrcc_sto as unittest
|
2018-02-14 10:33:11 +01:00 |
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Yann Garniron
|
66f7019ad1
|
merge with anthony master
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2018-02-12 14:12:25 +01:00 |
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Yann Garniron
|
5166768d96
|
merged stash
|
2018-01-09 13:29:34 +01:00 |
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Yann Garniron
|
82d37fa2b2
|
Merge branch 'master' of https://github.com/scemama/quantum_package into stashed
Conflicts:
plugins/mrcepa0/mrcc_stoch_routines.irp.f
|
2018-01-09 12:20:19 +01:00 |
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Yann Garniron
|
ff8bc16a9c
|
dress_zmq with null dressing
|
2017-12-15 16:21:04 +01:00 |
|