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c83dc311b1
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Fix compiling with gfortran
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2017-12-18 10:19:23 +01:00 |
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af229e7028
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Load balancing in 4idx
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2017-12-14 14:04:21 +01:00 |
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31b3b7dd79
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Fixed 4 idx
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2017-12-12 22:56:09 +01:00 |
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2ede44f483
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Genius amazing parallelism
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2017-12-12 16:56:14 +01:00 |
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a6ed2457b4
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Nested parallelism in 4idx
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2017-12-12 16:26:48 +01:00 |
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174496c523
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Merge branch 'develop' of github.com:scemama/quantum_package into develop
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2017-12-12 15:28:52 +01:00 |
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60ecb0006f
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Fixed memory leak in 4idx
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2017-12-12 15:28:27 +01:00 |
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3747b3c2a8
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Merge branch 'develop' of github.com:scemama/quantum_package into develop
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2017-12-08 14:07:14 +01:00 |
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f2da24ae4c
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Fixed psi_coef I/O bug
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2017-12-08 11:49:58 +01:00 |
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2472e63bd5
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Removed parallelism in old selection
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2017-12-08 10:48:09 +01:00 |
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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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146e75b89a
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More tasks in AO-MO transformation
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2017-12-05 19:10:53 +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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05ea4f54a9
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Merge branch 'develop' of github.com:scemama/quantum_package into develop
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2017-12-01 13:28:43 +01:00 |
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803d079b50
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Minor changes in slater rules
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2017-12-01 13:28:40 +01:00 |
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0c190934a8
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Format in pseudo
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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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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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2dea5ea1af
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Indentation
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2017-11-29 13:56:48 +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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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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f7831c033a
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Fixed read wf
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2017-11-29 12:17:01 +01:00 |
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8dd2dcb44f
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Reduced memory in 4idx
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2017-11-29 09:35:11 +01:00 |
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d680c85b8c
|
Parallelism OK
|
2017-11-28 15:51:21 +01:00 |
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c476aa1159
|
MPI with I/O
|
2017-11-28 14:20:17 +01:00 |
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1a5a4d5ff2
|
Introduced MPI for EZFIO accesses
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2017-11-28 01:05:28 +01:00 |
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6b0b988ee8
|
Fixed overflow
|
2017-11-27 23:38:48 +01:00 |
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68967d2101
|
Improved Parallelism
|
2017-11-27 23:18:18 +01:00 |
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a9aeda4958
|
Packed tasks for PT2 stoch
|
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
|
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 |
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1705a29815
|
Fixed travis
|
2017-11-27 13:43:05 +01:00 |
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37c05e25e2
|
Forgot file
|
2017-11-27 13:17:02 +01:00 |
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db87e1d3c4
|
Removed GPI2
|
2017-11-27 12:05:51 +01:00 |
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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 |
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99cbe9cfe3
|
Stabilized parallel calculations
|
2017-11-27 02:04:05 +01:00 |
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3aeff1b2b1
|
Fixed MPI parallelism
|
2017-11-27 00:09:25 +01:00 |
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514b13bc2f
|
Introduced put/get in OCaml
|
2017-11-26 23:47:19 +01:00 |
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d6ac6e6e73
|
Debugging
|
2017-11-26 11:15:58 +01:00 |
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9a0654c17d
|
Error messages
|
2017-11-24 01:02:53 +01:00 |
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e09e270a01
|
Better error messages
|
2017-11-23 21:12:41 +01:00 |
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e111130454
|
MPI broadcast works
|
2017-11-23 12:17:47 +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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66930be4c4
|
Print
|
2017-11-21 17:20:18 +01:00 |
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c63d4255d7
|
Added exrtapolation
|
2017-11-21 15:40:04 +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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