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ef9e61bd24
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Merge branch 'dev' of https://github.com/QuantumPackage/qp2 into dev
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2020-04-28 15:49:18 +02:00 |
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f182626685
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Fixed Forcing kill message
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2020-04-23 23:18:12 +02:00 |
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ddb8f64829
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Merge lpqlx139:qp2 into dev
Conflicts:
src/zmq/utils.irp.f
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2020-04-22 01:58:17 +02:00 |
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27369e5df8
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Commented ZMH_HWM
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2020-04-21 23:30:37 +02:00 |
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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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ac35c8dbbb
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Added f77_zmq_free.h for gfortran
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2020-03-05 14:19:43 +01:00 |
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28578c0562
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use zmq_f77_free.h
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2020-03-05 08:51:39 +01:00 |
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0b2fe07290
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New selection scheme with SA, variance and rPT2
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2019-12-17 10:54:03 +01:00 |
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d9a88399d1
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Merge branch 'master' into dev
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2019-07-09 17:15:41 +02:00 |
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e0b06889c8
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Cleaning
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2019-07-09 17:15:30 +02:00 |
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3763767f77
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Fix bug with deterministic PT2
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2019-07-09 13:40:06 +02:00 |
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e6eb789ab3
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Dev lcpq (#49)
* Add energy components
* Fixed beta_rs
* Update do_single_excitation
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2019-06-17 17:12:17 -05:00 |
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191d8ff0af
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Added qp_tunnel
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2019-06-15 00:43:09 +02:00 |
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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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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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df3a4fce2b
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Optimized communications
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2019-02-04 13:20:24 +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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8bd05b2c3f
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Asynchronous ZMQ
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2019-01-31 17:23:47 +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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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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24d9745056
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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