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82772b96c7
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MRCC_selected
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2016-12-29 22:00:41 +01:00 |
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fb5432abe0
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Better target_pt2_ratio_zmq
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2016-12-26 19:02:53 +01:00 |
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956c1e4680
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target_pt2_ratio_zmq
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2016-12-26 17:38:26 +01:00 |
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8cbe460f17
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Introduces PT2max ZMQ
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2016-12-26 17:11:44 +01:00 |
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0653c435cd
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Travis
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2016-12-19 14:24:43 +01:00 |
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d5eb7a1963
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Corrected tests
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2016-12-19 14:13:26 +01:00 |
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f7943d74f7
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Merge branch 'master' of github.com:scemama/quantum_package
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2016-12-19 13:27:54 +01:00 |
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3e37fcd12b
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Wf analyzis
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2016-12-19 13:27:16 +01:00 |
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bf02a9b3ef
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Merge branch 'master' of github.com:scemama/quantum_package
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2016-12-15 12:10:55 +01:00 |
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bbc6065f25
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Improved parallelism in davidson
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2016-12-15 12:10:43 +01:00 |
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Thomas Applencourt
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032d3e2f7e
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Merge pull request #177 from scemama/master
Finalized MR-CCSD
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2016-12-13 11:57:18 -06:00 |
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2f517fe52c
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Fixed tests
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2016-12-13 18:36:50 +01:00 |
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f85d467d79
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Corrected travis
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2016-12-13 17:09:10 +01:00 |
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c911db7f8e
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Accelerated u0_h_u0
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2016-12-13 12:40:12 +01:00 |
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683189855a
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De-symmetrized u0_H_u0
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2016-12-13 12:29:48 +01:00 |
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fcf621e5e0
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Removed comments
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2016-12-13 09:41:41 +01:00 |
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348032f200
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Solved MRPT_Utils problem
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2016-12-12 21:26:01 +01:00 |
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Anthony Scemama
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2b1c8cd5d8
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Merge pull request #46 from LCPQ/master
Merge LCPQ
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2016-12-12 21:24:51 +01:00 |
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c07fa3ad36
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Merge branch 'develop' of github.com:scemama/quantum_package into develop
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2016-12-12 14:24:39 +01:00 |
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05539f8a66
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Merge branch 'develop'
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2016-12-12 14:24:05 +01:00 |
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8348862975
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More applications of H in fci_zmq
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2016-12-12 14:22:52 +01:00 |
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2077a310db
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Merge branch 'develop'
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2016-12-12 12:24:02 +01:00 |
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f2719e33f5
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Fixed mrcc=2
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2016-12-12 12:16:56 +01:00 |
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b9255c1a51
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Minor changes
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2016-12-09 15:52:55 +01:00 |
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ee29506352
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Accelerated amplitudes
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2016-12-08 22:57:31 +01:00 |
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5e4d5a62e4
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Randomized multiplet guess
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2016-12-07 20:51:58 +01:00 |
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c07b0381b7
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Acceleration of Davidson for Nint>1
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2016-12-06 11:31:15 +01:00 |
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Emmanuel Giner
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eda249e631
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final version of MRPT, at least I hope
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2016-12-05 15:10:53 +01:00 |
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e6c8cf2e25
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Merge branch 'master' into develop
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2016-12-05 09:40:42 +01:00 |
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ca9d34864b
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threshold davidson = thres * 100
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2016-12-05 09:28:04 +01:00 |
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cc66ed86db
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Minor changes
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2016-12-03 18:58:07 +01:00 |
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33ee115062
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Removed gmp and zarith dependencies by forcing cryptokit 1.10
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2016-12-02 16:20:02 +01:00 |
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073cce6150
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Merge branch 'master' of github.com:scemama/quantum_package
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2016-12-02 16:17:27 +01:00 |
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cde801f276
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Added missing file
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2016-12-02 13:24:58 +01:00 |
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8ac3771c64
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Fixed install_ocaml.sh
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2016-12-02 12:47:25 +01:00 |
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366b0b66c2
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Updated travis script
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2016-12-02 12:07:19 +01:00 |
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07b48ef2f7
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Updated install scripts
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2016-12-02 12:04:38 +01:00 |
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Anthony Scemama
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d1e89b94a1
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Update README.md
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2016-12-02 11:09:48 +01:00 |
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Anthony Scemama
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1ea5e17339
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Update README.md
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2016-12-02 11:09:20 +01:00 |
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d45d53be71
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Trying Multi-state
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2016-12-01 16:28:56 +01:00 |
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3924fdc4b0
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Merge branch 'develop' of github.com:scemama/quantum_package into develop
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2016-12-01 09:49:07 +01:00 |
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e6db22dfd7
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Fixed travis
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2016-12-01 09:46:36 +01:00 |
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f9fce87440
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Removed radomization
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2016-11-30 22:49:03 +01:00 |
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3adf8cdcb7
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Accelerated MRSC2
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2016-11-30 21:20:36 +01:00 |
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eb8f1757ab
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Accelerated MRSC2
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2016-11-30 20:57:24 +01:00 |
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e9b7135b83
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Fixed: Bug in Davdison and Davidson_MRCC
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2016-11-30 20:09:50 +01:00 |
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f186827ee7
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Tests can run for 10min
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2016-11-30 19:46:59 +01:00 |
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a444967089
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Added -v to test
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2016-11-30 19:23:14 +01:00 |
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222497d6ed
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Fixed Travis
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2016-11-30 18:53:13 +01:00 |
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bc1e564f17
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Fixed Travis
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2016-11-30 18:07:14 +01:00 |
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