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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0c9d9b50dd
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Move do_pseudo
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2015-05-11 15:50:39 +02:00 |
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71a43d2ed1
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Split Vloc/Vnon_loc
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2015-05-11 15:33:08 +02:00 |
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e34c22adc2
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Merge branch 'TApplencourt-master'
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2015-05-11 15:06:23 +02:00 |
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e82be2bcd9
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Reset pot_ao_ints.f
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2015-05-11 15:06:22 +02:00 |
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4d82bd5fe8
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Split pseudo in local/non-local
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2015-05-11 14:54:43 +02:00 |
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Thomas Applencourt
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4a45182ff7
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Put pseudo in pseudo and add suport for SIZE un ezfio.cfg
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2015-05-11 14:40:55 +02:00 |
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Thomas Applencourt
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02cfbc8a8d
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Merge branch 'master' of github.com:TApplencourt/quantum_package
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2015-05-07 16:22:42 +02:00 |
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Thomas Applencourt
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dd93830594
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Merge pull request #14 from scemama/master
Merger with scemama
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2015-05-07 16:37:46 +02:00 |
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Thomas Applencourt
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8147c04a21
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Remove warning print for convergance
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2015-05-07 15:41:59 +02:00 |
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Thomas Applencourt
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2ec05fd08d
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Remove overflow and 400% acceleration
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2015-05-07 15:30:38 +02:00 |
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Thomas Applencourt
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9452013782
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More clarity
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2015-05-05 21:01:23 +02:00 |
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Thomas Applencourt
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bd95f3f86e
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Gain a Major 50% in int integral
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2015-05-05 19:58:33 +02:00 |
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Thomas Applencourt
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17155b5ec1
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Optimise a litle the pseudo(10-20%)
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2015-05-05 19:13:32 +02:00 |
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Thomas Applencourt
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92258bb7a3
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Remove test_int useless function
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2015-05-05 16:00:35 +02:00 |
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Thomas Applencourt
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c1c684b0e7
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>50% acceleration of int.f90
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2015-05-05 15:40:23 +02:00 |
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Thomas Applencourt
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db8f905b98
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Integration with the new code
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2015-05-05 13:39:11 +02:00 |
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Thomas Applencourt
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eeb60de46d
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solve overflow error in int.f90 for the pseudo
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2015-05-05 11:56:37 +02:00 |
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7fa6c5f607
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Equations in LaTeX format in pseudo
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2015-05-05 11:44:04 +02:00 |
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Thomas Applencourt
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1a9ced8f25
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Merge with ao_normalized_ordered_....
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2015-05-04 19:05:28 +02:00 |
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Thomas Applencourt
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6316d5a1fd
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Cleaning only_children_to_all_genealogy.py
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2015-05-04 10:30:22 +02:00 |
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Thomas Applencourt
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cdc9f46428
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Suport pseudo in qp_create
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2015-05-02 14:50:23 +02:00 |
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Thomas Applencourt
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b1ab3c5ce4
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Add EZFIO.cfg for Pseudo_integrals
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2015-05-02 13:53:45 +02:00 |
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Thomas Applencourt
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e5096621f2
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Fix set_pseudo_integrals_do_pseudo = False in test
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2015-05-02 13:29:57 +02:00 |
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Thomas Applencourt
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a531fa6b29
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Add Pseudo_integrals folder
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2015-05-02 12:58:21 +02:00 |
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