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e251c2f147
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Fixed SOP
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2018-11-22 01:18:17 +01:00 |
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c78fde9523
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Fixed SOP
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2018-11-21 23:34:17 +01:00 |
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a77093577e
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Introduced SOP-PT
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2018-11-21 22:54:05 +01:00 |
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63aa16cc53
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Fixed qp_run PT2
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2018-11-21 21:01:28 +01:00 |
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ec35981925
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Better det search key
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2018-11-21 15:41:53 +01:00 |
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ec5b3a6863
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Accelerated remove_duplicates_in_psi_det
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2018-11-21 15:06:14 +01:00 |
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638af5195d
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working on remove_duplicates
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2018-11-21 14:33:43 +01:00 |
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cb4d11e379
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Trying to fix s2
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2018-11-21 13:05:54 +01:00 |
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1581ccf70a
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Changed default for distributed_davidson
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2018-11-21 12:58:20 +01:00 |
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57f2a5597a
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Using rPT2 for extrapolation
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2018-11-21 12:33:17 +01:00 |
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de90c8cec6
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Revert "Removed many WF reads"
This reverts commit 5e9cbd49ad.
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2018-11-21 10:39:25 +01:00 |
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5e9cbd49ad
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Removed many WF reads
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2018-11-21 10:38:55 +01:00 |
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f7dbd8702e
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Accelerated algorithm for S2
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2018-11-21 10:26:23 +01:00 |
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a8d6f9946b
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Fixed travis
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2018-11-20 16:01:08 +01:00 |
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8da4aeefa1
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Adjust /proc/*/oom_adj
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2018-11-20 14:38:13 +01:00 |
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Anthony Scemama
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8f89e3d239
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Nocurl (#75)
* Documentation
* Improved qp_set_frozen_core
* Changed all ishft
* New install script OK
* Variable level shift in HF
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2018-11-20 11:33:07 +01:00 |
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437c9b53fb
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Accelerated S2
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2018-11-20 02:25:16 +01:00 |
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72a0f6a262
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Updated documentation
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2018-11-07 10:04:36 +01:00 |
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145a8df810
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Fixed N_stated_diag_local bug
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2018-11-06 22:42:37 +01:00 |
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c7aa11c14c
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CITATION.cff
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2018-11-05 16:44:51 +01:00 |
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1956469e59
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HF convergence
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2018-10-30 18:14:22 +01:00 |
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b40e50a4a5
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Merge olympe:~/quantum_package
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2018-10-30 18:13:46 +01:00 |
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fb99b890b1
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Cleaning
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2018-10-30 17:35:37 +01:00 |
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e2ea95bd04
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Added MRPT_Utils
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2018-10-30 17:12:27 +01:00 |
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f313e5b740
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Improved HF convergence
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2018-10-30 16:00:33 +01:00 |
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69fa4dcbaa
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Merge branch 'master' of https://github.com/scemama/quantum_package
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2018-10-30 15:54:09 +01:00 |
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0c0e5aa366
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Fixed travis
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2018-10-30 14:00:38 +01:00 |
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a052dba7f2
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Fixed travis
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2018-10-30 12:08:39 +01:00 |
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7487bf8bf2
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Fixed travis
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2018-10-30 10:02:06 +01:00 |
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30ee8c1ba3
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print
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2018-10-29 18:48:34 +01:00 |
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3730372ed9
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Changed default in level shift
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2018-10-29 18:38:09 +01:00 |
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cd943448a5
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Bug in variance
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2018-10-29 18:20:19 +01:00 |
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a24db77952
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Bug in variance/norm
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2018-10-29 18:00:45 +01:00 |
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955f2b0b02
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Changed default for level shift
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2018-10-29 17:53:56 +01:00 |
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0a7b363c7d
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Print
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2018-10-29 16:38:32 +01:00 |
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bf68146dc5
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make_binary.sh
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2018-10-29 16:36:09 +01:00 |
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9f756a51bd
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make_static
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2018-10-29 16:29:40 +01:00 |
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8274044a7c
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Check for duplicates in parallel
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2018-10-29 16:12:37 +01:00 |
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9a70059a11
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Added variance and norm of PT
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2018-10-29 14:35:29 +01:00 |
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7a0a14854a
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Modified build_static
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2018-10-24 18:36:39 +02:00 |
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fec8deb8e8
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Forgot NEED in Tools
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2018-10-24 12:23:12 +02:00 |
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cadb6a74dc
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Minor change in static
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2018-10-24 12:14:49 +02:00 |
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08ab6fab22
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Fixed travis
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2018-10-23 23:49:12 +02:00 |
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9b1fa6a2fe
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User's guide
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2018-10-23 23:43:28 +02:00 |
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bc01ff40d7
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User's guide
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2018-10-23 23:37:51 +02:00 |
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8983614ed0
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Fixed travis
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2018-10-23 22:46:05 +02:00 |
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f9d4a0e647
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Added requirements for RTD
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2018-10-23 01:33:26 +02:00 |
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47d625df3b
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Doc: Started Programming
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2018-10-23 01:19:44 +02:00 |
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1c6991b323
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Doc: Benchmarks
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2018-10-23 01:13:32 +02:00 |
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d40f7d1568
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Forgot file
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2018-10-22 23:35:05 +02:00 |
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