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3b935080b4
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Dummy read in integrals when restart
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2017-02-08 20:58:18 +01:00 |
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9a7db910d9
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Fixed distributed Davidson
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2017-02-08 20:54:15 +01:00 |
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Emmanuel Giner
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4e0c71df10
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density based mrpt2
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2017-02-06 21:28:01 +01:00 |
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Emmanuel Giner
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de209b3fa8
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pouet
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2017-02-03 11:51:22 +01:00 |
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20edbbd777
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More frequent teeth updates
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2017-02-01 22:25:27 +01:00 |
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245a2a90ed
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Fixed Travis
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2017-02-01 21:52:37 +01:00 |
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ca6672c250
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Removed PUSH/PULL
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2017-02-01 21:46:20 +01:00 |
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5f2407ce22
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Fixed Travis warning
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2017-02-01 21:39:34 +01:00 |
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6ea3216b98
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Fixed MRCEPA0
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2017-02-01 21:07:26 +01:00 |
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Anthony Scemama
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4a552cc8fe
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Merge pull request #182 from TApplencourt/master
Support new irp
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2017-02-01 21:01:13 +01:00 |
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d1507c937a
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Optimized selection
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2017-02-01 20:49:21 +01:00 |
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b6b8f7bcba
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Accelerated selection
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2017-02-01 18:57:20 +01:00 |
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1dfc8979be
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Reduced nb of tooth fillings
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2017-02-01 17:53:53 +01:00 |
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fe5f640346
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Corrected bug in pt2stoch
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2017-02-01 17:00:39 +01:00 |
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ca0f0732c2
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Corrected bug in pt2_find
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2017-02-01 16:35:47 +01:00 |
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832585a6ca
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Acceleration of pt2_find
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2017-02-01 15:17:50 +01:00 |
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848fda1836
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Fixed n_core
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2017-02-01 14:15:18 +01:00 |
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17386004bd
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Acceleration of pt2_find
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2017-02-01 14:06:57 +01:00 |
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3bbc3980c5
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Corrected bug in pt2stoch
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2017-02-01 11:39:59 +01:00 |
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f56246b456
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Merge branch 'master' of github.com:scemama/quantum_package
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2017-02-01 11:29:38 +01:00 |
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aac30f9b66
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Removed PUSH/PULL
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2017-02-01 11:29:17 +01:00 |
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Thomas Applencourt
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693efab41c
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Update configure
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2017-01-31 17:09:56 -06:00 |
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Thomas Applencourt
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71c7f2619a
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Missing PROVIDE
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2017-01-31 16:18:48 -06:00 |
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Thomas Applencourt
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78c47519da
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Missing PROVIDE
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2017-01-31 16:07:41 -06:00 |
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Thomas Applencourt
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c204a890de
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Missing PROVIDE
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2017-01-31 16:01:06 -06:00 |
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Thomas Applencourt
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22afa1ea56
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Missing PROVIDE
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2017-01-31 15:55:28 -06:00 |
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edc3cde211
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Corrected bug in PT2
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2017-01-31 21:52:31 +01:00 |
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cdd59910ff
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Corrected for use with new irpf90
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2017-01-31 21:48:47 +01:00 |
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Thomas Applencourt
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8c1569df31
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Update configure
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2017-01-31 14:16:38 -06:00 |
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67fded7d18
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work on pt2 stoch
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2017-01-30 20:15:28 +01:00 |
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097083db47
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Repaired selection
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2017-01-30 09:38:04 +01:00 |
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Thomas Applencourt
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b725005c43
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Remove irpf90.make in dependency
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2017-01-26 07:59:28 -06:00 |
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Thomas Applencourt
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f7bf046c39
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TApplencourt IRPF90 -> LCPQ
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2017-01-26 07:56:16 -06:00 |
|
Thomas Applencourt
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f850e2ff2b
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Update dressing.irp.f
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2017-01-25 20:23:45 -06:00 |
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Thomas Applencourt
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1f42b7092a
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Update selection.irp.f
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2017-01-25 20:19:34 -06:00 |
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Thomas Applencourt
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191df237d7
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Update selection.irp.f
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2017-01-25 20:14:11 -06:00 |
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Thomas Applencourt
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885ae02458
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Update sort.irp.f
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2017-01-25 20:06:48 -06:00 |
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Thomas Applencourt
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933efb26f6
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Update sort.irp.f
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2017-01-25 19:58:10 -06:00 |
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b08ced8741
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Simplification
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2017-01-25 18:52:44 +01:00 |
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9e73ed6b1c
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Efficient fragmentation
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2017-01-25 17:42:25 +01:00 |
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27dd2420dd
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Bugs+fragments
|
2017-01-25 16:24:02 +01:00 |
|
Thomas Applencourt
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803b48cc64
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Merge pull request #2 from LCPQ/master
Merge
|
2017-01-19 16:54:41 -06:00 |
|
Thomas Applencourt
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1056b8172b
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Update configure
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2017-01-19 16:39:27 -06:00 |
|
Thomas Applencourt
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3ddebd1892
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Update configure
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2017-01-19 16:31:46 -06:00 |
|
Thomas Applencourt
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44ccc24e72
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Restaure map_module.f90
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2017-01-19 16:29:50 -06:00 |
|
Thomas Applencourt
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64f0869486
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Merge pull request #1 from LCPQ/master
Merge...
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2017-01-19 16:10:58 -06:00 |
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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 |
|
Thomas Applencourt
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06413b9b59
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Update pot_ao_pseudo_ints.irp.f
|
2017-01-19 16:05:15 -06:00 |
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Thomas Applencourt
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f69d458ab6
|
Update module_handler.py
|
2017-01-19 16:03:57 -06:00 |
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