Thomas Applencourt
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5947026af0
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Fix update_README.py
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2015-04-13 10:55:48 +02:00 |
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Thomas Applencourt
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4cd77e1ec8
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HOT FIX for the bug
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2015-04-13 10:23:03 +02:00 |
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Thomas Applencourt
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e4b4871cb5
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Remove fancy_type pickled when Make veryclean is call
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2015-04-13 09:57:17 +02:00 |
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Thomas Applencourt
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92ce14a9b0
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true -> True for the convention
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2015-04-13 09:51:36 +02:00 |
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Thomas Applencourt
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db30bb8ec4
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ezfio_v1_to_v2.py
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2015-04-13 09:41:33 +02:00 |
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Thomas Applencourt
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98dfd4c8ec
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Merge pull request #7 from LCPQ/master
Merge v2 (bug from test) Need to solve
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2015-04-10 19:48:31 +02:00 |
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Thomas Applencourt
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4d44c1b46d
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Merge pull request #52 from scemama/master
Accept cause Sooner is beter.
Will fix the test bug on monday.
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2015-04-10 19:47:06 +02:00 |
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7d7626df53
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Cleaning
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2015-04-10 19:32:35 +02:00 |
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Anthony Scemama
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b4f7bc3724
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Merge pull request #6 from TApplencourt/master
Merge thomas
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2015-04-10 19:07:50 +02:00 |
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Thomas Applencourt
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0e9f78d51d
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Merge #2
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2015-04-10 18:13:06 +02:00 |
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Thomas Applencourt
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6958490a02
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Merge
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2015-04-10 18:10:03 +02:00 |
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Thomas Applencourt
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1abca0aa68
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Trying to merge
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2015-04-10 18:05:47 +02:00 |
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47d913a9ce
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Fixed CAS-SD
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2015-04-10 17:26:07 +02:00 |
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6ac88cf789
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Forgot file
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2015-04-10 11:06:33 +02:00 |
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44e4cbe4b3
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Forgot file
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2015-04-10 10:37:07 +02:00 |
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17126c779e
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Forgt EZFIO.cfg file
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2015-04-10 00:45:09 +02:00 |
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8bb2c8c898
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Removed debug in connected_to_ref.irp.f
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2015-04-10 00:44:12 +02:00 |
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b5b211aaea
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MRCC is parallelized
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2015-04-09 23:59:06 +02:00 |
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0f2bdedb90
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Moves psi_cas in Dets
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2015-04-09 22:32:25 +02:00 |
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99e63935d4
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MRCC works
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2015-04-09 21:46:37 +02:00 |
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102bbb0b4f
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Lots of minor fixes
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2015-04-09 21:46:28 +02:00 |
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Thomas Applencourt
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4ea60695ea
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Add Patch requirement for OPEM
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2015-04-09 14:03:24 +02:00 |
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dd1a51af63
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CAS-SD and CAS-SD selected
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2015-04-09 10:57:15 +02:00 |
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Thomas Applencourt
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d92047176e
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Merge pull request #5 from scemama/master
Merge for error
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2015-04-07 17:06:47 +02:00 |
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dcd9310033
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Solved problem with lowercases
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2015-04-07 10:50:37 +02:00 |
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9b2324ae51
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Solved problem with lowercases
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2015-04-07 10:17:38 +02:00 |
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fe3c2bb875
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Minor changes
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2015-04-03 14:26:14 +02:00 |
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3a00a533f2
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Merge branch 'master' of git://github.com/TApplencourt/quantum_package into TApplencourt-master
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2015-04-03 12:39:03 +02:00 |
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Thomas Applencourt
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26e41d52a5
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Fix conflicts
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2015-04-02 15:04:18 +02:00 |
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Thomas Applencourt
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ec62415813
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Merge branch 'LCPQ-master'
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2015-04-02 15:03:38 +02:00 |
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Thomas Applencourt
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2a58db3f77
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Fix conflicts
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2015-04-02 15:03:30 +02:00 |
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Thomas Applencourt
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11c0013992
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Autobuild qp_edit.ml
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2015-04-02 14:46:24 +02:00 |
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cf31a07818
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Added gitattributes
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2015-04-02 12:30:34 +02:00 |
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b797a9ed69
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Merge branch 'master' of git://github.com/LCPQ/quantum_package
Conflicts:
src/NEEDED_MODULES
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2015-04-02 12:08:13 +02:00 |
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Anthony Scemama
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98f2454592
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Merge pull request #3 from TApplencourt/master
BiInt => Bi_elec_integrales and many minor bug
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2015-04-02 12:04:10 +02:00 |
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2204bc4aba
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Corrected CAS-SD bug
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2015-04-02 11:40:16 +02:00 |
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Thomas Applencourt
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295579b7d9
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Add docopt for a beter ei_handler.py cli
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2015-04-02 10:28:44 +02:00 |
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c8c64a76ff
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Renamed psi_generators in psi_det_generators
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2015-04-02 10:26:45 +02:00 |
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a95adca2c7
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Working on MRCC
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2015-04-02 10:13:33 +02:00 |
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Thomas Applencourt
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1b6a3d74a1
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Add print into output on cisd_sc2_selection.irp.f
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2015-04-01 15:50:34 +02:00 |
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Thomas Applencourt
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780b0276ee
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Amelioration of unit test
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2015-04-01 14:56:52 +02:00 |
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Thomas Applencourt
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88db8c9ae6
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Add new type Disk_access (Read Write None)
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2015-04-01 14:14:01 +02:00 |
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ad75f3fd68
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Working on MRCC
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2015-04-01 13:23:02 +02:00 |
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18b038e06d
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Corrected little bugs
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2015-04-01 13:22:00 +02:00 |
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Thomas Applencourt
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00be8bc06a
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precision for unit test set to 5.e-8
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2015-03-31 13:41:20 +02:00 |
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Thomas Applencourt
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274f2752d0
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Add gitignore to ezfio_default for filter generated file
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2015-03-31 11:59:47 +02:00 |
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Thomas Applencourt
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855e839c35
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'=' is not alowed in EZFIO.cfg. Ocaml bug
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2015-03-31 11:45:18 +02:00 |
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Thomas Applencourt
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ba805c3d8e
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'=' is not alowed in EZFIO.cfg. Ocaml bug
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2015-03-31 11:41:07 +02:00 |
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Thomas Applencourt
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2c0480fcd8
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Ocaml generator need l_ezfio_name and not l_provider
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2015-03-31 11:14:45 +02:00 |
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Thomas Applencourt
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0a8d393dbc
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BiInt => Bielec_integrals
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2015-03-31 10:51:11 +02:00 |
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