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6224e449ca
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Replaces psi_det_size by N_det
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2022-05-12 14:28:25 +02:00 |
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4318b0a04b
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OpenMP nested merged
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2021-11-29 10:39:34 +01:00 |
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991c198220
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davidson with IRPF90 flags for multiple levels omp
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2021-11-19 22:53:05 +01:00 |
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7d39c58ea9
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Fixed get_phase_qp_to_cfg
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2021-04-17 02:03:31 +02:00 |
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697fbddde6
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Optimized get_all_spin_doubles_1
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2021-03-31 01:50:53 +02:00 |
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1691c74539
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Fixed distributed davidson
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2021-02-26 16:28:39 +01:00 |
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554579492b
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Added davidson without S2
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2021-02-17 00:46:58 +01:00 |
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7fa1637b91
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Changed banned
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2021-01-24 23:09:37 +01:00 |
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6553b53d1d
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Restore Davidson task size
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2021-01-24 11:30:49 +01:00 |
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7e4d08f51f
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Update Davidson parameters
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2021-01-21 11:03:19 +01:00 |
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362dd42ddc
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Increased task size in Davidson
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2021-01-20 13:17:35 +01:00 |
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6d33e6ce81
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Moved selection_weight
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2020-12-23 02:46:27 +01:00 |
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b1673f66a8
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istep in davidson_parallel
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2020-04-21 01:03:57 +02:00 |
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0f8ea82d68
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Don't recompute 1st Davidson iteration
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2019-11-18 15:56:26 +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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8bd05b2c3f
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Asynchronous ZMQ
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2019-01-31 17:23:47 +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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89d3f6312d
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Fixing Davidson
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2019-01-27 22:43:44 +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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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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24d9745056
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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