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3aeff1b2b1
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Fixed MPI parallelism
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2017-11-27 00:09:25 +01:00 |
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514b13bc2f
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Introduced put/get in OCaml
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2017-11-26 23:47:19 +01:00 |
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d6ac6e6e73
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Debugging
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2017-11-26 11:15:58 +01:00 |
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9a0654c17d
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Error messages
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2017-11-24 01:02:53 +01:00 |
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e09e270a01
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Better error messages
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2017-11-23 21:12:41 +01:00 |
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077e140a9d
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Fixed MPI
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2017-11-23 19:24:42 +01:00 |
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ae1cb2dfd5
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Chunks in broadcast
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2017-11-23 18:43:04 +01:00 |
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11913e211c
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MPI_SUCCESS
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2017-11-23 18:07:24 +01:00 |
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e111130454
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MPI broadcast works
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2017-11-23 12:17:47 +01:00 |
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5469ba87ea
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Forgot file
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2017-11-23 11:16:38 +01:00 |
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e55a1565e8
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MPI test is OK
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2017-11-23 10:35:13 +01:00 |
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334f165ff1
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First MPI tests seem OK
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2017-11-22 17:07:16 +01:00 |
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6f68bc69e9
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Final print
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2017-11-22 16:23:56 +01:00 |
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38831926db
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Final print
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2017-11-22 16:21:16 +01:00 |
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66930be4c4
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Print
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2017-11-21 17:20:18 +01:00 |
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32614df72b
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Fixed multi-state
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2017-11-21 15:52:16 +01:00 |
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c63d4255d7
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Added exrtapolation
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2017-11-21 15:40:04 +01:00 |
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Yann Garniron
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efd37a5adc
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removed useless parameter coef in mrcc_part_dress_1c
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2017-11-21 15:10:52 +01:00 |
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Yann Garniron
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aec9872ccb
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removed delta_ij_cancel
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2017-11-21 14:55:31 +01:00 |
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cd3c13077a
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Multi-state PT2
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2017-11-21 14:53:32 +01:00 |
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a290736145
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Fixed PT2 stoch multistate
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2017-11-21 10:43:38 +01:00 |
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14eb5b4a42
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Multi-state PT2 OK
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2017-11-20 15:19:00 +01:00 |
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Yann Garniron
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eb5b802bfb
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merged mrcc_sto
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2017-11-20 11:03:58 +01:00 |
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Yann Garniron
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e1fb8eded2
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hardcoded and arbitrary target absolute error for mrcc_zmq
|
2017-11-20 10:56:04 +01:00 |
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Yann Garniron
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159b4ce498
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checkpoints were triggered at wrong time
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2017-11-07 15:04:12 +01:00 |
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Yann Garniron
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db5d329062
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corrected small bias - better balanced checkpoints
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2017-11-07 11:46:39 +01:00 |
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Yann Garniron
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19f3671775
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checkpointed mrcc_zmq
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2017-11-06 13:18:23 +01:00 |
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d83c9d3712
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Fixed travis
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2017-10-30 16:21:26 +01:00 |
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8826ba9c2d
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Fixed travis
|
2017-10-30 15:35:55 +01:00 |
|
Emmanuel Giner
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301b459f1b
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Merge http://github.com/scemama/quantum_package
|
2017-10-27 12:21:45 +02:00 |
|
Emmanuel Giner
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b447da300e
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Modifs Manus
|
2017-10-27 12:20:00 +02:00 |
|
Yann Garniron
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d84fbabb8d
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mrcc_zmq
|
2017-10-27 11:14:22 +02:00 |
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Yann Garniron
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2f2840ebb5
|
missing files.......
|
2017-10-23 09:57:33 +02:00 |
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Yann Garniron
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b5b333904f
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mrcc dressing on first column ; mrcc_stoch estimates energy from dressing
|
2017-10-23 09:56:38 +02:00 |
|
Yann Garniron
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70543a965f
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delta_cancel was uninitialized
|
2017-10-18 15:10:15 +02:00 |
|
Yann Garniron
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59976b6c58
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experimental (not working) delta_cancel
|
2017-10-17 16:05:51 +02:00 |
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c09713b4b4
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Minor changes
|
2017-10-16 15:06:24 +02:00 |
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561ce296d2
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Faster four idx transformation
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2017-10-13 17:32:40 +02:00 |
|
Yann Garniron
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8803659492
|
missing file...
|
2017-10-12 10:06:25 +02:00 |
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Yann Garniron
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df26d62868
|
experimental mrcc_sto
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2017-10-12 10:05:27 +02:00 |
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24c4dddc2f
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Aded densify_coefmatrix.irp.f
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2017-10-09 15:29:58 +02:00 |
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06fc8cd8e1
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Working on truncate_wf
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2017-10-09 14:14:27 +02:00 |
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e367abcd37
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Merge branch 'master' of /export/home/garniron/quantum_package
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2017-10-09 09:10:26 +02:00 |
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7ac793cc52
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Working on truncate_wf
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2017-10-06 15:41:44 +02:00 |
|
Yann Garniron
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b5750ed87b
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not very efficient but working mrsc2
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2017-10-06 13:05:57 +02:00 |
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f8ee845825
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Fixed Slater's Rules
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2017-10-05 18:48:38 +02:00 |
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1c58249f53
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Integrated in main program
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2017-10-02 11:40:36 +02:00 |
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827e6933d4
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Commit
|
2017-10-02 09:49:22 +02:00 |
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9772a2b7d8
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Four idx almost as fast n 4 cores
|
2017-09-28 02:25:11 +02:00 |
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56609e4b3c
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Almost as fast
|
2017-09-28 01:10:44 +02:00 |
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