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ff391db161
|
mmap seems OK
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2016-06-16 12:47:08 +02:00 |
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7c523340a2
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Merge branch 'master' into develop
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2016-06-16 00:14:14 +02:00 |
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149c69b161
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Bug in diagonalize CI
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2016-06-16 00:14:02 +02:00 |
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ac40124ac6
|
Move mmap.f90
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2016-06-15 14:23:19 +02:00 |
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39366f7ec1
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mmap works for integrals
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2016-06-14 13:59:05 +02:00 |
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20ad57e8c6
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Merge branch 'master' into develop
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2016-06-13 10:29:49 +02:00 |
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6dbbd976cf
|
Dressed dmc
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2016-06-13 10:29:47 +02:00 |
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5502f94503
|
Allocatable minilist
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2016-06-06 15:40:14 +02:00 |
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28cac78c05
|
Removed critical regions
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2016-06-06 11:23:04 +02:00 |
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fae75d92cb
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Merge branch 'master' into develop
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2016-06-06 10:57:56 +02:00 |
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eb827f1f5d
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Merge branch 'develop' of github.com:scemama/quantum_package into develop
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2016-06-06 10:57:49 +02:00 |
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f00f11830e
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Upgraded ZeroMQ
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2016-06-06 10:56:28 +02:00 |
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ab67babe36
|
Upgraded ZMQ
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2016-06-06 10:51:57 +02:00 |
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f6369660bd
|
Removed lck
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2016-06-06 10:36:23 +02:00 |
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249325b911
|
OMP PARALLEL BUG
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2016-06-06 10:25:19 +02:00 |
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85dfee525b
|
OMP PARALLEL BUG
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2016-06-06 10:15:59 +02:00 |
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ac3f5f9893
|
Updated to zeromq 4.1.4
|
2016-06-06 10:12:20 +02:00 |
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c551af4de6
|
Merge branch 'master' of github.com:scemama/quantum_package
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2016-06-06 09:32:44 +02:00 |
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16ac743aac
|
OpenMP lock bug
|
2016-06-06 09:31:51 +02:00 |
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61daec6ee6
|
Removed all libint stuff
|
2016-06-03 11:12:41 +02:00 |
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caa3e3f6a6
|
Added nuclear repulsion
|
2016-05-30 01:37:08 +02:00 |
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3eaec55215
|
Forgot file
|
2016-05-30 00:42:39 +02:00 |
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|
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3781ca757e
|
Introduces full_ci_dressed
|
2016-05-30 00:29:37 +02:00 |
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fbd2b11fc9
|
Introduce PT2 by generator in ZMQ
|
2016-05-29 23:24:18 +02:00 |
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|
e2f4857b83
|
Fetch i_generator from ZMQ
|
2016-05-29 22:38:06 +02:00 |
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|
3f2f870281
|
ZMQ socket options
|
2016-05-26 12:12:43 +02:00 |
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|
7b1a5efb88
|
Corrected SVD 1x1 bug
|
2016-05-11 21:59:21 +02:00 |
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|
9bbf5b398a
|
Repaired tests
|
2016-05-10 23:26:38 +02:00 |
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|
08e557dac4
|
Repaired ZMQ
|
2016-05-10 23:21:38 +02:00 |
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|
|
330de7b32f
|
H with pseudo doesnt segfault
|
2016-05-10 18:38:54 +02:00 |
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|
|
078ee95e12
|
Bug in ei_handler
|
2016-05-04 16:14:59 +02:00 |
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1354ab86fb
|
Optim MRCC + davidson
|
2016-05-02 17:06:18 +02:00 |
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d35d555eda
|
Davidson thresold
|
2016-05-02 10:31:57 +02:00 |
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68247ee14a
|
Repaired qp_ao_ints
|
2016-04-19 20:34:43 +02:00 |
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1013b6f7f7
|
Replaced PUSH/PULL by REQ/REP
|
2016-04-18 12:51:50 +02:00 |
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|
0a226a83f1
|
Not working
|
2016-04-16 22:25:35 +02:00 |
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|
5da6a5afa1
|
Merge branch 'master' into develop
|
2016-04-16 21:18:44 +02:00 |
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|
|
eec834be96
|
Print mask
|
2016-04-16 21:18:38 +02:00 |
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|
|
ac58cfd0ce
|
Forgot files
|
2016-04-11 10:48:36 +02:00 |
|
|
|
0821e76995
|
Extract CAS
|
2016-04-11 10:39:27 +02:00 |
|
|
|
3298edad85
|
Removed normalization of psi_ref in lambda_MRCC
|
2016-04-07 10:55:21 +02:00 |
|
|
|
b4b8a01be3
|
Corrected libint bug
|
2016-04-06 21:23:26 +02:00 |
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|
4dda44e324
|
Added swap_mos program
|
2016-04-04 12:43:50 +02:00 |
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|
177bcb0854
|
Corrected pseudos
|
2016-04-04 12:25:47 +02:00 |
|
|
|
809cf9b045
|
Added more atoms in pseudo
|
2016-04-04 11:48:13 +02:00 |
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|
a871bc451b
|
Merge branch 'master' into develop
|
2016-04-04 11:03:31 +02:00 |
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|
|
e125ab3e0e
|
Added Trail-Needs small core pseudos
|
2016-04-03 18:19:35 +02:00 |
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|
|
1754dfaca7
|
Added Trail-Needs pseudopotentials
|
2016-04-03 17:08:34 +02:00 |
|
|
|
f0fc7dd39f
|
Fixed tests
|
2016-04-02 00:10:27 +02:00 |
|
|
|
d20c63f0fe
|
Forgot H_apply
|
2016-04-01 23:46:24 +02:00 |
|
