Thomas Applencourt
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6185049a20
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Merge branch 'master' into master
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2017-01-19 16:10:32 -06:00 |
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Thomas Applencourt
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6d37f3202d
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Update map_module.f90
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2017-01-19 16:06:54 -06:00 |
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Thomas Applencourt
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06413b9b59
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Update pot_ao_pseudo_ints.irp.f
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2017-01-19 16:05:15 -06:00 |
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Thomas Applencourt
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f69d458ab6
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Update module_handler.py
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2017-01-19 16:03:57 -06:00 |
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Thomas Applencourt
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9d66d26b8d
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Delete ifort_knl.cfg
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2017-01-19 16:01:38 -06:00 |
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Thomas Applencourt
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6db3da733f
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Fix 404: Update Zlib Url.
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2017-01-17 16:05:18 -06:00 |
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Anthony Scemama
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bdd71bcaff
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Merge pull request #179 from barrymoo/allow_non-default_opamroot
Allow for non-default OPAMROOT locations
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2017-01-04 09:53:42 +01:00 |
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Thomas Applencourt
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66dea5e7b8
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Corrected OPAM_PATH
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2017-01-03 19:29:09 -06:00 |
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Barry Moore
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092992aa49
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Minimize code addition
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2017-01-03 19:39:31 -05:00 |
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Thomas Applencourt
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230c07f0f7
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Merge pull request #178 from barrymoo/minor_zlib_upgrade
Minor fix to zlib download
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2017-01-03 17:50:00 -06:00 |
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Barry Moore
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ddf798119f
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Allow for non-default OPAMROOT locations
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2017-01-03 18:47:21 -05:00 |
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Barry Moore
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3af4913e2d
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Minor fix to zlib download
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2017-01-03 18:03:39 -05:00 |
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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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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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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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