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b719eea821
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Debug ZMQ
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2018-09-19 12:40:17 +02:00 |
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47511da133
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Wrong type
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2018-09-19 09:52:50 +02:00 |
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9a77f8d342
|
Fixed broken selection introduced in f3e22a8
|
2018-09-19 09:40:19 +02:00 |
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|
52b5283fe6
|
Minor changes
|
2018-09-19 09:25:32 +02:00 |
|
|
f3e22a81f7
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Improved parallel scaling
|
2018-09-18 00:03:39 +02:00 |
|
|
df7d5cd117
|
Fixed multi-state efficiency
|
2018-09-17 15:15:25 +02:00 |
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fa7144ece6
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Refinement of psi_generators
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2018-09-17 14:43:39 +02:00 |
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0e0e8fb7b6
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Fixed variable character string
|
2018-09-14 19:44:55 +02:00 |
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b292a4e4e5
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Truncate eigenfnuction of S^2
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2018-09-14 18:08:19 +02:00 |
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0b64d752b7
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Fixed too large stack
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2018-09-14 16:54:09 +02:00 |
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06ffc784eb
|
Fixed sBk
|
2018-09-14 15:51:09 +02:00 |
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|
2cb6b48ecb
|
Fixed Fragments
|
2018-09-10 17:02:16 +02:00 |
|
|
ad7398f912
|
Fixed Fragments
|
2018-09-10 17:00:30 +02:00 |
|
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f8bda54c75
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Fixed MPI
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2018-09-09 12:20:33 +02:00 |
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4098b05202
|
Squashed commit of the following:
commit 96715abd7bc0645b994fc4fff1c764e7bec3042e
Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Thu Sep 6 12:08:34 2018 +0200
Tasks
commit e43b1e2faff5ad1ec4ecd2eb99e8d86e0000a9a2
Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Thu Sep 6 11:47:02 2018 +0200
Fixed print
commit c498c8944b5695b953909711a2e9a542e1bc6015
Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Thu Sep 6 11:11:51 2018 +0200
PT2 and shiftedBk fixed
commit 965cf0361d54df096c9bfca93f9d50ecd946c198
Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Wed Sep 5 18:48:59 2018 +0200
Shifted Bk multistate broken
commit 87ef641b65a122fa1256605cbe098c1a0de04bc0
Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Wed Sep 5 17:23:38 2018 +0200
PT2 fixed
commit a2adb533bcaf96191a24ff5fcef86cd14ac00697
Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Wed Sep 5 16:55:05 2018 +0200
Working on PT2 (broken)
commit 33f52991b65ac42ced5521ef0e713df765268860
Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Wed Sep 5 12:13:23 2018 +0200
Fixed missing argument
commit 712bf75f76421880299dc65b30acfda3d531f709
Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Wed Sep 5 11:42:31 2018 +0200
Fixed floating invalid in PT2
commit cf2412ebd99f9acf573a5180603611f1c3e35155
Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Wed Sep 5 11:34:37 2018 +0200
n_states_diag >= n_states
commit bb415435e4d9be72a285ec789c3d63046a9173e4
Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Wed Sep 5 11:23:41 2018 +0200
Fixed final print
commit f2d339cf7b
Merge: cfa8e1dc 52ca18c1
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Tue Sep 4 20:51:14 2018 +0200
Merge branch 'thesis' of ssh://github.com/garniron/quantum_package into thesis
commit cfa8e1dc34
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Tue Sep 4 20:50:09 2018 +0200
restored relative_error
commit bccad69c77
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Tue Sep 4 20:47:11 2018 +0200
uninitialized variable
commit 52ca18c152
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Tue Sep 4 20:47:11 2018 +0200
uninitialized variable
commit ba0094f5f8
Merge: 093e3fd0 68458296
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Tue Sep 4 20:07:15 2018 +0200
merge with garniroy
commit 68458296dc
Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Tue Sep 4 18:43:39 2018 +0200
Almost working but still broken
commit 9ebb88cbf3
Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Tue Sep 4 18:05:00 2018 +0200
Cleaning
commit 873035e016
Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Tue Sep 4 17:31:45 2018 +0200
Squashed commit of the following:
commit 4b9c435dce0f3b3078d573e66fd32b40fca26497
Merge: 74e559c8 093e3fd0
Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Tue Sep 4 16:58:51 2018 +0200
Merge branch 'thesis' of git://github.com/garniron/quantum_package into garniron-thesis
commit 093e3fd021
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Tue Sep 4 16:13:00 2018 +0200
removed ungodly hack
commit 8529a0f3f6
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Tue Sep 4 14:57:19 2018 +0200
reduced prints in pt2_stoch
commit 03b8f353bd
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Tue Sep 4 14:41:46 2018 +0200
teeth building check for pt2_stoch
commit 0d91b9310a
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Tue Sep 4 14:35:04 2018 +0200
timestamp of first pull
commit 34d9fa0165
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Tue Sep 4 14:27:10 2018 +0200
potential numerical precision bug
commit 9a0f900d8c
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Tue Sep 4 14:09:51 2018 +0200
tests if teeth can be built
commit dda0dc34df
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Mon Sep 3 17:48:04 2018 +0200
corrected pt2_find_sample
commit a521f0cb82
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Mon Sep 3 16:08:02 2018 +0200
tasks get by batches of Nproc
commit 997a5a1265
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Mon Sep 3 14:18:04 2018 +0200
buffered task_id send
commit 99ea7948e0
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Mon Sep 3 12:29:12 2018 +0200
unbalanced fragmentation
commit abb3b7e08b
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Sun Sep 2 17:18:44 2018 +0200
overflow of pt2_J
commit 8df49f394b
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Sun Sep 2 15:58:48 2018 +0200
removed useless computation of intermediate checkpoints
commit 4ba5b79eb3
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Sun Sep 2 15:50:14 2018 +0200
dressing only sent for chosen checkpoint
commit a4a6a69459
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Sat Sep 1 17:01:56 2018 +0200
cumulative dot_F
commit 6a7f04cb79
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Sat Sep 1 16:58:07 2018 +0200
simpler purge
commit 168ca2f2e2
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Fri Aug 31 21:07:01 2018 +0200
task list optimized
commit de4a0d0caf
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Fri Aug 31 18:57:03 2018 +0200
removed print
commit fee31d4e3e
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Fri Aug 31 18:56:23 2018 +0200
dress fragmentation
commit 02893a419d
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Fri Aug 31 15:52:16 2018 +0200
bug in blocked search - replaced with thesis version
commit bb6e073cf1
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Thu Aug 30 21:24:45 2018 +0200
ungodly hack to prevent double providing
commit 0609e8c627
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Thu Aug 30 20:52:05 2018 +0200
debugging
commit a254fdd7cf
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Thu Aug 30 15:24:07 2018 +0200
parallel bug
commit 2a6c1941d4
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Thu Aug 30 11:43:11 2018 +0200
corrected when relative_error=0d0
commit bac039bdf1
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Thu Aug 30 10:58:17 2018 +0200
relative error 1d-5
commit aae9d203ec
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Thu Aug 30 10:07:02 2018 +0200
potential fragmentation bug
commit ad69f39f99
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Wed Aug 29 20:54:58 2018 +0200
dress_zmq re-implemented
commit d78f64732a
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Wed Aug 29 11:30:19 2018 +0200
pt2_stoch re-implemented
commit 4b9b54e19a
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Tue Aug 28 10:24:38 2018 +0200
removed test for phase_mask_bit
commit 3abccca5e3
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Fri Aug 3 23:44:05 2018 +0200
phasemask_bit
commit 093e3fd021
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Tue Sep 4 16:13:00 2018 +0200
removed ungodly hack
commit 8529a0f3f6
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Tue Sep 4 14:57:19 2018 +0200
reduced prints in pt2_stoch
commit 03b8f353bd
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Tue Sep 4 14:41:46 2018 +0200
teeth building check for pt2_stoch
commit 0d91b9310a
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Tue Sep 4 14:35:04 2018 +0200
timestamp of first pull
commit 34d9fa0165
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Tue Sep 4 14:27:10 2018 +0200
potential numerical precision bug
commit 9a0f900d8c
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Tue Sep 4 14:09:51 2018 +0200
tests if teeth can be built
commit dda0dc34df
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Mon Sep 3 17:48:04 2018 +0200
corrected pt2_find_sample
commit a521f0cb82
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Mon Sep 3 16:08:02 2018 +0200
tasks get by batches of Nproc
commit 997a5a1265
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Mon Sep 3 14:18:04 2018 +0200
buffered task_id send
commit 99ea7948e0
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Mon Sep 3 12:29:12 2018 +0200
unbalanced fragmentation
commit abb3b7e08b
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Sun Sep 2 17:18:44 2018 +0200
overflow of pt2_J
commit 8df49f394b
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Sun Sep 2 15:58:48 2018 +0200
removed useless computation of intermediate checkpoints
commit 4ba5b79eb3
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Sun Sep 2 15:50:14 2018 +0200
dressing only sent for chosen checkpoint
commit a4a6a69459
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Sat Sep 1 17:01:56 2018 +0200
cumulative dot_F
commit 6a7f04cb79
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Sat Sep 1 16:58:07 2018 +0200
simpler purge
commit 168ca2f2e2
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Fri Aug 31 21:07:01 2018 +0200
task list optimized
commit de4a0d0caf
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Fri Aug 31 18:57:03 2018 +0200
removed print
commit fee31d4e3e
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Fri Aug 31 18:56:23 2018 +0200
dress fragmentation
commit 02893a419d
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Fri Aug 31 15:52:16 2018 +0200
bug in blocked search - replaced with thesis version
commit bb6e073cf1
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Thu Aug 30 21:24:45 2018 +0200
ungodly hack to prevent double providing
commit 0609e8c627
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Thu Aug 30 20:52:05 2018 +0200
debugging
commit a254fdd7cf
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Thu Aug 30 15:24:07 2018 +0200
parallel bug
commit 2a6c1941d4
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Thu Aug 30 11:43:11 2018 +0200
corrected when relative_error=0d0
commit bac039bdf1
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Thu Aug 30 10:58:17 2018 +0200
relative error 1d-5
commit aae9d203ec
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Thu Aug 30 10:07:02 2018 +0200
potential fragmentation bug
commit ad69f39f99
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Wed Aug 29 20:54:58 2018 +0200
dress_zmq re-implemented
commit d78f64732a
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Wed Aug 29 11:30:19 2018 +0200
pt2_stoch re-implemented
commit 4b9b54e19a
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Tue Aug 28 10:24:38 2018 +0200
removed test for phase_mask_bit
commit 3abccca5e3
Author: Yann Garniron <yann.garniron@yahoo.fr>
Date: Fri Aug 3 23:44:05 2018 +0200
phasemask_bit
|
2018-09-06 15:19:51 +02:00 |
|
|
ffb591f6d7
|
Fix out-of-bounds
|
2018-07-27 17:01:00 +02:00 |
|
|
257d7004aa
|
OpenMP in save_MRCC_wf
|
2018-07-25 01:13:04 +02:00 |
|
|
1453c46700
|
Fixed PT2 in FCI_ZMQ
|
2018-07-03 15:42:52 +02:00 |
|
|
e68bd1f98a
|
Added 1/c0^2 weight in selection
|
2018-07-03 15:30:26 +02:00 |
|
|
764dced552
|
Merge branch 'master' of https://github.com/scemama/quantum_package
|
2018-07-03 14:49:43 +02:00 |
|
|
c2ddf7d606
|
Updated PT2Stoch
|
2018-07-03 14:49:23 +02:00 |
|
|
348a6f9f69
|
Fixed travis
|
2018-07-02 14:32:15 +02:00 |
|
|
5627445e6f
|
Removed rmcc_zmq from tests
|
2018-06-28 10:38:57 +02:00 |
|
|
7246641fce
|
type mismatch
|
2018-06-27 15:54:59 +02:00 |
|
|
9e55a9a2cd
|
Merge branch 'master' of lpqlx139:quantum_package
|
2018-06-27 15:24:24 +02:00 |
|
|
256048d24f
|
Fixed MRCC
|
2018-06-27 15:20:33 +02:00 |
|
|
df39a9c6b7
|
Merge branch 'master' of github.com:scemama/quantum_package
Conflicts:
ocaml/TaskServer.ml
|
2018-06-25 14:19:31 +02:00 |
|
|
ca263297bf
|
Fixed selection
|
2018-06-25 14:18:46 +02:00 |
|
|
28096c2d83
|
Merge branch 'garniron-alpha_factory'
|
2018-06-18 18:02:34 +02:00 |
|
|
f1be78d1a8
|
Trying to optimize pt2:
|
2018-06-18 09:36:41 +02:00 |
|
|
52eb8e996a
|
minor change
|
2018-06-09 14:35:33 +02:00 |
|
|
6d05caffd5
|
Memory model
|
2018-06-08 21:37:08 +02:00 |
|
|
ef92609192
|
timeouts
|
2018-06-08 02:09:42 +02:00 |
|
|
c48623a5c9
|
Fixed parallelization bugs
|
2018-06-08 01:20:31 +02:00 |
|
|
fe53949f63
|
Optimized MPI
|
2018-06-07 19:26:57 +02:00 |
|
|
261a8f6dfd
|
Accelerated integrals
|
2018-06-07 16:20:37 +02:00 |
|
|
c46635c5ed
|
Tuning
|
2018-06-06 21:21:42 +02:00 |
|
|
535a3402d8
|
Adjust ntasks with time
|
2018-06-06 13:09:30 +02:00 |
|
|
c8ee603667
|
Increased number of fragments
|
2018-06-06 10:47:51 +02:00 |
|
|
9f127c40a7
|
Fixed parallel runs
|
2018-06-05 22:32:06 +02:00 |
|
|
a4fded893f
|
Fixed selection
|
2018-06-05 21:51:24 +02:00 |
|
|
ace711ae14
|
Parallel bugs fixed
|
2018-06-05 17:51:10 +02:00 |
|
|
50b12bcacb
|
L3 weight
|
2018-05-25 15:03:12 +02:00 |
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|
a0850d34ad
|
Merge branch 'master' of github.com:scemama/quantum_package
|
2018-05-23 13:49:50 +02:00 |
|
|
95893b861d
|
fragmented selection
|
2018-05-23 13:49:37 +02:00 |
|
|
e09660ad34
|
Merge branch 'alpha_factory' of https://github.com/garniron/quantum_package into garniron-alpha_factory
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2018-05-23 13:18:48 +02:00 |
|
|
e4dfaa20bd
|
Minor fix
|
2018-05-23 13:18:01 +02:00 |
|
Yann Garniron
|
3044e7e72a
|
removed limit to deterministic set size
|
2018-05-23 13:13:30 +02:00 |
|
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72b0c84cb6
|
Merge branch 'master' into garniron-alpha_factory
|
2018-05-22 18:14:58 +02:00 |
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|
e9047e3881
|
Merge branch 'master' into garniron-alpha_factory
|
2018-05-22 18:12:48 +02:00 |
|