Anthony Scemama
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f6e5b4aeef
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Delete mo_energy_expval.irp.broken
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2019-02-18 15:05:38 +01:00 |
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489f9bd969
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Fixed hf_energy
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2019-02-06 16:49:32 +01:00 |
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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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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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5a8a4fb37e
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Fixed wrong Assert
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2019-02-05 18:31:11 +01:00 |
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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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60255980e9
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Mono -> Single
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2019-02-04 23:51:09 +01:00 |
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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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75b50cf4d6
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Fixed Travis
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2019-02-04 19:33:15 +01:00 |
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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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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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df3a4fce2b
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Optimized communications
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2019-02-04 13:20:24 +01:00 |
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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 |
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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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e62dd629c4
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Longer tasks
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2019-01-31 17:43:06 +01:00 |
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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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8bd05b2c3f
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Asynchronous ZMQ
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2019-01-31 17:23:47 +01:00 |
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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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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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4289859204
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Introduced HF denominator
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2019-01-31 11:20:17 +01:00 |
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55baae2e11
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Doc
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2019-01-30 17:23:49 +01:00 |
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876c9d5fb4
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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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7521d3da46
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Folder -> directory
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2019-01-29 23:10:00 +01:00 |
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8f4450f8c5
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Reduced ZMQ buffers
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2019-01-29 21:48:59 +01:00 |
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f4bff28cd1
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Warnings in documentation
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2019-01-29 17:09:08 +01:00 |
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7fc9d2540f
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Fixing travis
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2019-01-28 22:01:50 +01:00 |
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c35594edd3
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Fixing Davidson
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2019-01-28 13:00:59 +01:00 |
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0c88a04ec8
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Tuned pt2_F
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2019-01-28 12:46:08 +01:00 |
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89d3f6312d
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Fixing Davidson
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2019-01-27 22:43:44 +01:00 |
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29ec5aeea3
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Fixed tests
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2019-01-27 22:12:25 +01:00 |
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dcbce52da1
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Fixed Davidson
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2019-01-27 21:58:36 +01:00 |
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cd79047f1c
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Fixing Davidson
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2019-01-27 19:04:20 +01:00 |
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318b1af239
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Fixing Davidson
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2019-01-26 19:13:31 +01:00 |
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f1e14f0851
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Fixing Davidson
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2019-01-26 12:37:25 +01:00 |
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63fcb619aa
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Fixing MPI Davidson
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2019-01-26 11:29:57 +01:00 |
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de1ea90b1e
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Fixed memory in pt2 slaves
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2019-01-26 10:56:39 +01:00 |
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263b724e1a
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Fixing large parallel runs
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2019-01-26 10:34:22 +01:00 |
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0992b52dcf
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Added error messages in davidson slave
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2019-01-25 17:02:44 +01:00 |
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f830999041
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Included documentation
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2019-01-25 14:54:38 +01:00 |
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24d9745056
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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