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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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37c05e25e2
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Forgot file
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2017-11-27 13:17:02 +01:00 |
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3aa99f23b6
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ZMQ_PUSH
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2017-11-27 12:07:27 +01:00 |
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db87e1d3c4
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Removed GPI2
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2017-11-27 12:05:51 +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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4243595a17
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reset ifort_mpi.cfg
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2017-11-27 02:20:34 +01:00 |
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99cbe9cfe3
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Stabilized parallel calculations
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2017-11-27 02:04:05 +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
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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
|
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
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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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b14ccfe5dd
|
Merge branch 'feature/mpi' into develop
|
2017-11-23 10:36:10 +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
|
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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32614df72b
|
Fixed multi-state
|
2017-11-21 15:52:16 +01:00 |
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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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a290736145
|
Fixed PT2 stoch multistate
|
2017-11-21 10:43:38 +01:00 |
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ca5f6efc93
|
Fixed print in Davdison
|
2017-11-21 09:24:39 +01:00 |
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e0bd14a122
|
N_states saved with natorb
|
2017-11-20 15:48:36 +01:00 |
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14eb5b4a42
|
Multi-state PT2 OK
|
2017-11-20 15:19:00 +01:00 |
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31557a1180
|
Bohr possible in xyz
|
2017-11-20 12:25:12 +01:00 |
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5b942e2db0
|
Memory leak fixed in 4idx
|
2017-11-17 11:41:47 +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 |
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|
|
c179484238
|
Cleaning
|
2017-10-30 12:26:23 +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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|
80e5819658
|
Bug in MO cache
|
2017-10-20 16:08:41 +02:00 |
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|
8854eeb457
|
Fixed four-idx
|
2017-10-16 22:47:18 +02:00 |
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|
7db4bf509b
|
Fixed tests
|
2017-10-16 18:28:54 +02:00 |
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|
|
2685cc15eb
|
Strong typing
|
2017-10-16 18:09:10 +02:00 |
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|
|
0ea730e6f0
|
Fixed four_index
|
2017-10-16 17:55:00 +02:00 |
|
|
|
c09713b4b4
|
Minor changes
|
2017-10-16 15:06:24 +02:00 |
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|
27b8b4d736
|
Commented Remove_duplicates
|
2017-10-14 01:25:43 +02:00 |
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|
a50663a77a
|
Working on four_idx_zmq
|
2017-10-13 21:10:53 +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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