Thomas Applencourt
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58b683ea81
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Fix import
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2015-06-04 17:37:43 +02:00 |
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Thomas Applencourt
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30df5835a1
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update_readme.py and so one
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2015-06-04 12:09:28 +02:00 |
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Thomas Applencourt
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81ca7f2545
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Remove ASSUMPTIONS.rst. Put it direcly in README.rst
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2015-06-04 11:17:01 +02:00 |
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Thomas Applencourt
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be114d1d88
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BYE BYE MAKEFILE ninja !
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2015-06-03 17:52:41 +02:00 |
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Thomas Applencourt
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c63cbab3ee
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Fix include
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2015-06-03 15:32:43 +02:00 |
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Thomas Applencourt
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e99034d3f9
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Try to merge...
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2015-06-03 14:03:11 +02:00 |
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Thomas Applencourt
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8bf723dcfc
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Mega cleaning.
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2015-06-02 18:17:59 +02:00 |
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1e12737e0e
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Changed pseudo_ao in EZFIO
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2015-05-26 21:37:17 +02:00 |
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Thomas Applencourt
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af1acde61f
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Add Update_readme to ninja
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2015-05-26 17:43:43 +02:00 |
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23e3f5c5e8
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Forgot file
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2015-05-21 10:58:55 +02:00 |
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e50e967018
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Added Davidson in MRCC
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2015-05-21 10:15:13 +02:00 |
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7c0fd00c1f
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Added module DensityFit
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2015-05-13 22:53:26 +02:00 |
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Thomas Applencourt
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1157baa8e3
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Fix a dependancy when disosiate bielec_integral and mono_elec
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2015-05-12 11:55:52 +02:00 |
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Thomas Applencourt
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6d8004e723
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Change Bielec_integrals => Integrals_Bielec
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2015-05-12 11:30:05 +02:00 |
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Thomas Applencourt
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f628bdee18
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Rename MonoInts into Integrals_Monoelec
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2015-05-12 11:05:07 +02:00 |
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Thomas Applencourt
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1a634b4ed2
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Change image name, add image in README.rst, and add Graphviz in dependancy
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2015-05-12 10:39:49 +02:00 |
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Thomas Applencourt
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5777753d6b
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Add all.png to git
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2015-05-12 10:05:20 +02:00 |
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e438d8582b
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Removed Output module
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2015-05-11 19:41:56 +02:00 |
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0a1ba724aa
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Fixed bugs
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2015-05-06 18:26:36 +02:00 |
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d6ec67e840
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Fixed Full CAS-SD
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2015-05-06 17:01:45 +02:00 |
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bfddb4f9d9
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Added EZFIO.cfg and s2_eig test in diag
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2015-05-06 15:05:08 +02:00 |
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Thomas Applencourt
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acb6b7b16a
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Add NEED_CHILDREN_MODULE to replace NEEDED_MODULES
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2015-04-30 18:56:04 +02:00 |
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Thomas Applencourt
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3b59fca0c7
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Add EZFIO.cfg in determinants
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2015-04-20 15:20:38 +02:00 |
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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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7d7626df53
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Cleaning
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2015-04-10 19:32:35 +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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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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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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fe3c2bb875
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Minor changes
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2015-04-03 14:26:14 +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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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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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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ad75f3fd68
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Working on MRCC
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2015-04-01 13:23:02 +02:00 |
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