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e0c3507720
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Amazing acceleration in MRCC
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2015-07-29 17:36:51 +02:00 |
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f06d8dc257
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Accelerated get_excitation_degree_vector
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2015-07-29 16:08:28 +02:00 |
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7ef8ee171d
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Accelerated get_excitation_degree_vector
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2015-07-29 15:35:01 +02:00 |
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c042e5af0c
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openMP in MRCC_new and corected bug
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2015-07-29 15:16:42 +02:00 |
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ed7d11bf04
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Fixed Davdison broken in previous commit
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2015-07-28 19:00:26 +02:00 |
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01699dd0c1
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i_H_j_phase_out missing in previous commit
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2015-07-28 18:57:43 +02:00 |
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eb0cc786ef
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Added needed files for module
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2015-07-28 18:49:14 +02:00 |
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51ed95ccde
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t push origin masterMerge branch 'eginer-master'
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2015-07-28 18:43:48 +02:00 |
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8671e53615
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Merge branch 'master' of https://github.com/eginer/quantum_package into eginer-master
Conflicts:
plugins/CISD/README.rst
plugins/CISD_SC2_selected/README.rst
plugins/CISD_selected/README.rst
plugins/DDCI_selected/README.rst
plugins/MRCC_CASSD/.gitignore
src/Determinants/davidson.irp.f
src/Determinants/slater_rules.irp.f
src/Ezfio_files/README.rst
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2015-07-28 18:36:50 +02:00 |
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Thomas Applencourt
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5e8a106d85
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Merge pull request #99 from TApplencourt/master
Fix path error in doc and graphiz dependancy
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2015-07-28 17:38:35 +02:00 |
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Thomas Applencourt
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006c28f4ee
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Fix error in doc path
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2015-07-28 17:31:54 +02:00 |
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Thomas Applencourt
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1c35435ea6
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Fixing doc in double
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2015-07-28 17:18:45 +02:00 |
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Thomas Applencourt
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97c0dcf40b
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Fix qp_install_module
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2015-07-28 17:02:00 +02:00 |
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7e1dc45418
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Minor changes
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2015-07-28 16:58:41 +02:00 |
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Thomas Applencourt
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3d702eff52
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Remove global variable
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2015-07-28 16:47:29 +02:00 |
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Thomas Applencourt
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b97e337f4b
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Refortorisation of update_readme
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2015-07-28 16:45:45 +02:00 |
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Manu
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608f1fd302
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MRCC_Utils_new seems to work, but not sure
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2015-07-28 16:41:02 +02:00 |
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37599336b0
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Corrected graphviz bug
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2015-07-28 15:55:13 +02:00 |
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Thomas Applencourt
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5e98b8c2ae
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Beter separation in development mode and production one
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2015-07-28 10:23:17 +02:00 |
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Thomas Applencourt
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d36d9e3177
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Add beter instruction for readme
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2015-07-28 10:03:14 +02:00 |
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Thomas Applencourt
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a56df23d9a
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Remove graphiz dependancy for testing purpose
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2015-07-28 09:48:47 +02:00 |
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Thomas Applencourt
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e9898c4fa1
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Merge branch 'develop'
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2015-07-28 09:48:11 +02:00 |
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Thomas Applencourt
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97df8d1922
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Fix graphiz
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2015-07-28 09:46:38 +02:00 |
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e39afd6c2c
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Corrected bug with missing README files
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2015-07-25 00:26:00 +02:00 |
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ce86b932ca
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Spelling in comments
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2015-07-25 00:18:19 +02:00 |
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Thomas Applencourt
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b2a546ca74
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Merge pull request #26 from LCPQ/master
Merging
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2015-07-24 12:10:55 +02:00 |
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Anthony Scemama
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640300ef29
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Merge pull request #98 from scemama/master
MRCC generalized
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2015-07-24 12:03:57 +02:00 |
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1ff6d37952
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Merge branch 'LCPQ-master'
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2015-07-24 11:49:04 +02:00 |
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c6e67d0df7
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Merge OK
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2015-07-24 11:48:56 +02:00 |
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95cf564898
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Lowercase in ocaml
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2015-07-24 11:23:54 +02:00 |
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Thomas Applencourt
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e4d2eda17f
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Add python
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2015-07-21 10:11:12 +02:00 |
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Manu
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83c8b0c3f8
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Merge branch 'master' of github.com:eginer/quantum_package
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2015-07-20 14:39:58 +02:00 |
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Manu
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3e3c0567e1
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MRCC is ok with selected excitation operators
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2015-07-20 14:19:11 +02:00 |
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Manu
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3d64bcd83a
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fixed bug in dressed_matrix
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2015-07-20 13:35:38 +02:00 |
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Thomas Applencourt
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e712cb410e
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Merge pull request #97 from TApplencourt/master
Add bulddir variable in ninja
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2015-07-16 17:54:17 +02:00 |
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Thomas Applencourt
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ce22e1a875
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Merge branch 'master' into develop
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2015-07-16 17:48:13 +02:00 |
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Thomas Applencourt
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997d0aebbd
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Beter message when installing
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2015-07-16 17:45:42 +02:00 |
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Thomas Applencourt
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b8152bb47a
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Add builddir for more amazingness
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2015-07-16 17:36:38 +02:00 |
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Thomas Applencourt
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3f84e59f06
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Merge pull request #96 from TApplencourt/master
Correction of install Bug
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2015-07-16 16:44:54 +02:00 |
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Thomas Applencourt
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f49fea0620
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Merge branch 'develop'
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2015-07-16 15:50:37 +02:00 |
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Thomas Applencourt
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582c608b3e
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REMOVE EZFIO_FILE/REAMD.rst
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2015-07-16 15:50:26 +02:00 |
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Thomas Applencourt
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295950dbfc
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Merge branch 'LCPQ-master' into develop
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2015-07-16 15:44:59 +02:00 |
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Thomas Applencourt
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99444757b1
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Epic merge for the doc...
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2015-07-16 15:44:51 +02:00 |
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Thomas Applencourt
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31e534ba67
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Merge tag '0.1.0' into develop
Test
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2015-07-16 15:26:56 +02:00 |
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Thomas Applencourt
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4d9b1389dc
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Merge branch 'release/0.1.0'
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2015-07-16 15:26:43 +02:00 |
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Thomas Applencourt
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ec9bb7fad8
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Remove README.rst in Ezfio_file
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2015-07-16 15:22:29 +02:00 |
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Thomas Applencourt
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d067773d3a
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Fix coherency
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2015-07-16 15:20:31 +02:00 |
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Thomas Applencourt
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8eac20aa2e
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Beter uninstalation
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2015-07-16 14:41:39 +02:00 |
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Thomas Applencourt
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e195685c4b
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Going back to png
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2015-07-16 14:25:20 +02:00 |
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Thomas Applencourt
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aa2166bf1e
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Beter error handler
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2015-07-16 12:15:07 +02:00 |
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