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97297f68a8
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FCI with NOS
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2017-12-07 10:02:59 +01:00 |
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f7d715ba6c
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CIS doesn't read wf
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2017-12-06 19:22:52 +01:00 |
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d98805b3e5
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Added ZMQ 4idx
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2017-12-05 18:54:10 +01:00 |
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44f91e4187
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MRCC merge with garniroy, broken
|
2017-12-04 12:04:46 +01:00 |
|
Anthony Scemama
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a846375d25
|
MRCC stoch (#56)
* experimental mrcc_sto
* experimental (not working) delta_cancel
* delta_cancel was uninitialized
* mrcc dressing on first column ; mrcc_stoch estimates energy from dressing
* mrcc_zmq
* checkpointed mrcc_zmq
* corrected small bias - better balanced checkpoints
* checkpoints were triggered at wrong time
* hardcoded and arbitrary target absolute error for mrcc_zmq
* removed delta_ij_cancel
* removed useless parameter coef in mrcc_part_dress_1c
|
2017-12-04 10:49:37 +01:00 |
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7131a21be6
|
Bug in analyze_wf
|
2017-12-04 10:31:54 +01:00 |
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|
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0c190934a8
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Format in pseudo
|
2017-12-01 13:27:34 +01:00 |
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2e5752f8f5
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Parallelism OK with 50 nodes
|
2017-11-29 19:10:27 +01:00 |
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|
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db0e74bf37
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Replace subs by funcs in ZMQ
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2017-11-29 17:28:55 +01:00 |
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4a7a80679b
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Control in put/get
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2017-11-29 13:53:24 +01:00 |
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|
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140a8e30fd
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Added control ID in zmq_state
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2017-11-29 12:49:26 +01:00 |
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|
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3ac2e2d8c3
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Fixed CISD
|
2017-11-29 10:06:55 +01:00 |
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e4080ce676
|
Fixed CAS_SD
|
2017-11-28 18:20:26 +01:00 |
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|
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ff8fcfa42b
|
qdpt test
|
2017-11-28 17:11:44 +01:00 |
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|
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c476aa1159
|
MPI with I/O
|
2017-11-28 14:20:17 +01:00 |
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|
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1a5a4d5ff2
|
Introduced MPI for EZFIO accesses
|
2017-11-28 01:05:28 +01:00 |
|
|
|
68967d2101
|
Improved Parallelism
|
2017-11-27 23:18:18 +01:00 |
|
|
|
a9aeda4958
|
Packed tasks for PT2 stoch
|
2017-11-27 19:44:29 +01:00 |
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|
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fa7505ceca
|
Fixed qp_run
|
2017-11-27 17:18:14 +01:00 |
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|
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a672cdb445
|
Selectors_Utils is not a core module
|
2017-11-27 16:40:40 +01:00 |
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|
|
5fcb1e455e
|
FIxed travis
|
2017-11-27 16:31:00 +01:00 |
|
|
|
1705a29815
|
Fixed travis
|
2017-11-27 13:43:05 +01:00 |
|
|
|
0df48e6b15
|
Cleaning
|
2017-11-27 11:28:16 +01:00 |
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|
|
12295ce7c0
|
Removed aligns
|
2017-11-27 10:58:32 +01:00 |
|
|
|
fc5f0b9745
|
mpif.h
|
2017-11-27 09:58:48 +01:00 |
|
|
|
3aeff1b2b1
|
Fixed MPI parallelism
|
2017-11-27 00:09:25 +01:00 |
|
|
|
514b13bc2f
|
Introduced put/get in OCaml
|
2017-11-26 23:47:19 +01:00 |
|
|
|
d6ac6e6e73
|
Debugging
|
2017-11-26 11:15:58 +01:00 |
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|
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9a0654c17d
|
Error messages
|
2017-11-24 01:02:53 +01:00 |
|
|
|
e09e270a01
|
Better error messages
|
2017-11-23 21:12:41 +01:00 |
|
|
|
077e140a9d
|
Fixed MPI
|
2017-11-23 19:24:42 +01:00 |
|
|
|
ae1cb2dfd5
|
Chunks in broadcast
|
2017-11-23 18:43:04 +01:00 |
|
|
|
11913e211c
|
MPI_SUCCESS
|
2017-11-23 18:07:24 +01:00 |
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|
|
e111130454
|
MPI broadcast works
|
2017-11-23 12:17:47 +01:00 |
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|
|
5469ba87ea
|
Forgot file
|
2017-11-23 11:16:38 +01:00 |
|
|
|
e55a1565e8
|
MPI test is OK
|
2017-11-23 10:35:13 +01:00 |
|
|
|
334f165ff1
|
First MPI tests seem OK
|
2017-11-22 17:07:16 +01:00 |
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|
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6f68bc69e9
|
Final print
|
2017-11-22 16:23:56 +01:00 |
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|
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38831926db
|
Final print
|
2017-11-22 16:21:16 +01:00 |
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66930be4c4
|
Print
|
2017-11-21 17:20:18 +01:00 |
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|
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32614df72b
|
Fixed multi-state
|
2017-11-21 15:52:16 +01:00 |
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|
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c63d4255d7
|
Added exrtapolation
|
2017-11-21 15:40:04 +01:00 |
|
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cd3c13077a
|
Multi-state PT2
|
2017-11-21 14:53:32 +01:00 |
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|
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a290736145
|
Fixed PT2 stoch multistate
|
2017-11-21 10:43:38 +01:00 |
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|
|
14eb5b4a42
|
Multi-state PT2 OK
|
2017-11-20 15:19:00 +01:00 |
|
|
|
d83c9d3712
|
Fixed travis
|
2017-10-30 16:21:26 +01:00 |
|
|
|
8826ba9c2d
|
Fixed travis
|
2017-10-30 15:35:55 +01:00 |
|
Emmanuel Giner
|
301b459f1b
|
Merge http://github.com/scemama/quantum_package
|
2017-10-27 12:21:45 +02:00 |
|
Emmanuel Giner
|
b447da300e
|
Modifs Manus
|
2017-10-27 12:20:00 +02:00 |
|
|
|
c09713b4b4
|
Minor changes
|
2017-10-16 15:06:24 +02:00 |
|
