eginer
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977ccbad29
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merge
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2019-02-06 15:29:28 +01:00 |
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eginer
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4759309d11
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Merge branch 'develop' of https://github.com/QuantumPackage/qp2 into develop
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2019-02-06 15:27:59 +01:00 |
 Anthony Scemama
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2016edd734
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Added test
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2019-02-05 22:15:29 +01:00 |
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Anthony Scemama
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9babb038dc
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Fixed davidson ZMQ termination
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2019-02-05 18:44:03 +01:00 |
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Anthony Scemama
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5a8a4fb37e
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Fixed wrong Assert
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2019-02-05 18:31:11 +01:00 |
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Anthony Scemama
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e7267463c8
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Fixed u0Hu0
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2019-02-05 12:02:50 +01:00 |
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Anthony Scemama
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60255980e9
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Mono -> Single
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2019-02-04 23:51:09 +01:00 |
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Anthony Scemama
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37fe028626
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Fixed travis
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2019-02-04 23:23:08 +01:00 |
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eginer
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6ffdccb26d
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added source/programmers_guide/new_ks.rst
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2019-02-04 19:43:39 +01:00 |
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Anthony Scemama
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75b50cf4d6
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Fixed Travis
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2019-02-04 19:33:15 +01:00 |
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Anthony Scemama
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54c4b15324
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Merge branch 'develop' of github.com:QuantumPackage/qp2 into develop
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2019-02-04 18:29:02 +01:00 |
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Anthony Scemama
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acab743773
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Distributed only when Ndet > 100 000
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2019-02-04 18:21:21 +01:00 |
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eginer
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44b9318bae
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added README.rst in new_functionals
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2019-02-04 16:13:42 +01:00 |
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Anthony Scemama
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915217bc15
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Merge branch 'develop' of github.com:QuantumPackage/qp2 into develop
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2019-02-04 15:43:42 +01:00 |
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Anthony Scemama
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ba3c3ab7e1
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Merge branch 'develop' of https://github.com/QuantumPackage/qp2 into develop
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2019-02-04 15:40:32 +01:00 |
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Anthony Scemama
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f37f7ae87a
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Removed SOP as default
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2019-02-04 15:40:24 +01:00 |
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Anthony Scemama
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df3a4fce2b
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Optimized communications
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2019-02-04 13:20:24 +01:00 |
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Anthony Scemama
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7deb62cb4a
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Merge olympe:qp2 into develop
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2019-02-04 13:17:59 +01:00 |
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Anthony Scemama
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35143c336e
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Error messages
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2019-02-04 13:14:57 +01:00 |
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eginer
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981b563177
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added dft_one_e/README.rst
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2019-02-04 13:14:05 +01:00 |
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Anthony Scemama
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dd14a4f50d
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Better handling of pt2 tasks
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2019-02-03 17:30:28 +01:00 |
|
eginer
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e41e34be58
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Merge branch 'develop' into develop_manu
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2019-02-01 16:29:52 +01:00 |
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Anthony Scemama
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ca26262907
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Type error in sending
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2019-01-31 17:57:36 +01:00 |
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Anthony Scemama
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e62dd629c4
|
Longer tasks
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2019-01-31 17:43:06 +01:00 |
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Anthony Scemama
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d76f39527d
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Update mini in slaves
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2019-01-31 17:28:54 +01:00 |
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Anthony Scemama
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8bd05b2c3f
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Asynchronous ZMQ
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2019-01-31 17:23:47 +01:00 |
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Anthony Scemama
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3cf722374b
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Improved openmp in selection
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2019-01-31 11:57:46 +01:00 |
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Anthony Scemama
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9b0d38fb7b
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Reduced RAM in pt2 slaves
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2019-01-31 11:26:13 +01:00 |
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Anthony Scemama
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97361aaf17
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Merge olympe:qp2 into develop
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2019-01-31 11:20:27 +01:00 |
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Anthony Scemama
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4289859204
|
Introduced HF denominator
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2019-01-31 11:20:17 +01:00 |
|
eginer
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ecaa190f63
|
Merge branch 'develop' into develop_manu
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2019-01-30 18:38:08 +01:00 |
|
eginer
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1ae6af7ce3
|
changed the configure
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2019-01-30 18:28:52 +01:00 |
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Anthony Scemama
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34fae6be69
|
Merge branch 'master' into develop
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2019-01-30 17:28:15 +01:00 |
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Anthony Scemama
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55baae2e11
|
Doc
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2019-01-30 17:23:49 +01:00 |
|
eginer
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ab5fd75524
|
Merge branch 'develop' of https://github.com/QuantumPackage/qp2 into develop
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2019-01-30 11:47:08 +01:00 |
|
eginer
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a20dfdee69
|
changed the configure to add new functionals
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2019-01-30 11:43:36 +01:00 |
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Anthony Scemama
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876c9d5fb4
|
Merge branch 'develop' of https://github.com/QuantumPackage/qp2 into develop
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2019-01-30 11:11:34 +01:00 |
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Anthony Scemama
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7521d3da46
|
Folder -> directory
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2019-01-29 23:10:00 +01:00 |
|
Anthony Scemama
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8f4450f8c5
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Reduced ZMQ buffers
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2019-01-29 21:48:59 +01:00 |
|
eginer
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9762b51df5
|
added new feature for new dft functionals
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2019-01-29 18:49:25 +01:00 |
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Anthony Scemama
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8e6603c85a
|
Forgot files
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2019-01-29 18:28:15 +01:00 |
|
Anthony Scemama
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f4bff28cd1
|
Warnings in documentation
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2019-01-29 17:09:08 +01:00 |
|
eginer
|
3315d9855d
|
added dft_one_e
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2019-01-29 16:13:43 +01:00 |
|
eginer
|
dd5a451679
|
corrected the laplacians of aos
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2019-01-29 16:08:28 +01:00 |
|
Anthony Scemama
|
7fc9d2540f
|
Fixing travis
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2019-01-28 22:01:50 +01:00 |
|
eginer
|
2a98bc5d39
|
fixed laplacian of aos
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2019-01-28 15:58:44 +01:00 |
|
Anthony Scemama
|
c35594edd3
|
Fixing Davidson
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2019-01-28 13:00:59 +01:00 |
|
Anthony Scemama
|
e8c0ba6ca0
|
Merge branch 'develop' of https://github.com/QuantumPackage/qp2 into develop
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2019-01-28 12:46:28 +01:00 |
|
Anthony Scemama
|
0c88a04ec8
|
Tuned pt2_F
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2019-01-28 12:46:08 +01:00 |
 mveril
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102084fa59
|
Add support for symbolic link which target qpsh
|
2019-01-28 11:32:06 +01:00 |