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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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3ac2e2d8c3
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Fixed CISD
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2017-11-29 10:06:55 +01:00 |
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e4080ce676
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Fixed CAS_SD
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2017-11-28 18:20:26 +01:00 |
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ff8fcfa42b
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qdpt test
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2017-11-28 17:11:44 +01:00 |
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c476aa1159
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MPI with I/O
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2017-11-28 14:20:17 +01:00 |
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1a5a4d5ff2
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Introduced MPI for EZFIO accesses
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2017-11-28 01:05:28 +01:00 |
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68967d2101
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Improved Parallelism
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2017-11-27 23:18:18 +01:00 |
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a9aeda4958
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Packed tasks for PT2 stoch
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2017-11-27 19:44:29 +01:00 |
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fa7505ceca
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Fixed qp_run
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2017-11-27 17:18:14 +01:00 |
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a672cdb445
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Selectors_Utils is not a core module
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2017-11-27 16:40:40 +01:00 |
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5fcb1e455e
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FIxed travis
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2017-11-27 16:31:00 +01:00 |
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1705a29815
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Fixed travis
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2017-11-27 13:43:05 +01:00 |
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0df48e6b15
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Cleaning
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2017-11-27 11:28:16 +01:00 |
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12295ce7c0
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Removed aligns
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2017-11-27 10:58:32 +01:00 |
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fc5f0b9745
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mpif.h
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2017-11-27 09:58:48 +01:00 |
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3aeff1b2b1
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Fixed MPI parallelism
|
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
|
2017-11-26 11:15:58 +01:00 |
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9a0654c17d
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Error messages
|
2017-11-24 01:02:53 +01:00 |
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e09e270a01
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Better error messages
|
2017-11-23 21:12:41 +01:00 |
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077e140a9d
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Fixed MPI
|
2017-11-23 19:24:42 +01:00 |
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ae1cb2dfd5
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Chunks in broadcast
|
2017-11-23 18:43:04 +01:00 |
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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 |
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e55a1565e8
|
MPI test is OK
|
2017-11-23 10:35:13 +01:00 |
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334f165ff1
|
First MPI tests seem OK
|
2017-11-22 17:07:16 +01:00 |
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6f68bc69e9
|
Final print
|
2017-11-22 16:23:56 +01:00 |
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38831926db
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Final print
|
2017-11-22 16:21:16 +01:00 |
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66930be4c4
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Print
|
2017-11-21 17:20:18 +01:00 |
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32614df72b
|
Fixed multi-state
|
2017-11-21 15:52:16 +01:00 |
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c63d4255d7
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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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a290736145
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Fixed PT2 stoch multistate
|
2017-11-21 10:43:38 +01:00 |
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14eb5b4a42
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Multi-state PT2 OK
|
2017-11-20 15:19:00 +01:00 |
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|
d83c9d3712
|
Fixed travis
|
2017-10-30 16:21:26 +01:00 |
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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 |
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c09713b4b4
|
Minor changes
|
2017-10-16 15:06:24 +02:00 |
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561ce296d2
|
Faster four idx transformation
|
2017-10-13 17:32:40 +02:00 |
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24c4dddc2f
|
Aded densify_coefmatrix.irp.f
|
2017-10-09 15:29:58 +02:00 |
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06fc8cd8e1
|
Working on truncate_wf
|
2017-10-09 14:14:27 +02:00 |
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e367abcd37
|
Merge branch 'master' of /export/home/garniron/quantum_package
|
2017-10-09 09:10:26 +02:00 |
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7ac793cc52
|
Working on truncate_wf
|
2017-10-06 15:41:44 +02:00 |
|
Yann Garniron
|
b5750ed87b
|
not very efficient but working mrsc2
|
2017-10-06 13:05:57 +02:00 |
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f8ee845825
|
Fixed Slater's Rules
|
2017-10-05 18:48:38 +02:00 |
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1c58249f53
|
Integrated in main program
|
2017-10-02 11:40:36 +02:00 |
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827e6933d4
|
Commit
|
2017-10-02 09:49:22 +02:00 |
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|
9772a2b7d8
|
Four idx almost as fast n 4 cores
|
2017-09-28 02:25:11 +02:00 |
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