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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-28 23:26:09 +01:00
Commit Graph

2252 Commits

Author SHA1 Message Date
7ef8ee171d Accelerated get_excitation_degree_vector 2015-07-29 15:35:01 +02:00
c042e5af0c openMP in MRCC_new and corected bug 2015-07-29 15:16:42 +02:00
ed7d11bf04 Fixed Davdison broken in previous commit 2015-07-28 19:00:26 +02:00
01699dd0c1 i_H_j_phase_out missing in previous commit 2015-07-28 18:57:43 +02:00
eb0cc786ef Added needed files for module 2015-07-28 18:49:14 +02:00
51ed95ccde t push origin masterMerge branch 'eginer-master' 2015-07-28 18:43:48 +02:00
8671e53615 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
2015-07-28 18:36:50 +02:00
Thomas Applencourt
5e8a106d85 Merge pull request #99 from TApplencourt/master
Fix path error in doc and graphiz dependancy
2015-07-28 17:38:35 +02:00
Thomas Applencourt
006c28f4ee Fix error in doc path 2015-07-28 17:31:54 +02:00
Thomas Applencourt
1c35435ea6 Fixing doc in double 2015-07-28 17:18:45 +02:00
Thomas Applencourt
97c0dcf40b Fix qp_install_module 2015-07-28 17:02:00 +02:00
7e1dc45418 Minor changes 2015-07-28 16:58:41 +02:00
Thomas Applencourt
3d702eff52 Remove global variable 2015-07-28 16:47:29 +02:00
Thomas Applencourt
b97e337f4b Refortorisation of update_readme 2015-07-28 16:45:45 +02:00
Manu
608f1fd302 MRCC_Utils_new seems to work, but not sure 2015-07-28 16:41:02 +02:00
37599336b0 Corrected graphviz bug 2015-07-28 15:55:13 +02:00
Thomas Applencourt
5e98b8c2ae Beter separation in development mode and production one 2015-07-28 10:23:17 +02:00
Thomas Applencourt
d36d9e3177 Add beter instruction for readme 2015-07-28 10:03:14 +02:00
Thomas Applencourt
a56df23d9a Remove graphiz dependancy for testing purpose 2015-07-28 09:48:47 +02:00
Thomas Applencourt
e9898c4fa1 Merge branch 'develop' 2015-07-28 09:48:11 +02:00
Thomas Applencourt
97df8d1922 Fix graphiz 2015-07-28 09:46:38 +02:00
e39afd6c2c Corrected bug with missing README files 2015-07-25 00:26:00 +02:00
ce86b932ca Spelling in comments 2015-07-25 00:18:19 +02:00
Thomas Applencourt
b2a546ca74 Merge pull request #26 from LCPQ/master
Merging
2015-07-24 12:10:55 +02:00
Anthony Scemama
640300ef29 Merge pull request #98 from scemama/master
MRCC generalized
2015-07-24 12:03:57 +02:00
1ff6d37952 Merge branch 'LCPQ-master' 2015-07-24 11:49:04 +02:00
c6e67d0df7 Merge OK 2015-07-24 11:48:56 +02:00
95cf564898 Lowercase in ocaml 2015-07-24 11:23:54 +02:00
Thomas Applencourt
e4d2eda17f Add python 2015-07-21 10:11:12 +02:00
Manu
83c8b0c3f8 Merge branch 'master' of github.com:eginer/quantum_package 2015-07-20 14:39:58 +02:00
Manu
3e3c0567e1 MRCC is ok with selected excitation operators 2015-07-20 14:19:11 +02:00
Manu
3d64bcd83a fixed bug in dressed_matrix 2015-07-20 13:35:38 +02:00
Thomas Applencourt
e712cb410e Merge pull request #97 from TApplencourt/master
Add bulddir variable in ninja
2015-07-16 17:54:17 +02:00
Thomas Applencourt
ce22e1a875 Merge branch 'master' into develop 2015-07-16 17:48:13 +02:00
Thomas Applencourt
997d0aebbd Beter message when installing 2015-07-16 17:45:42 +02:00
Thomas Applencourt
b8152bb47a Add builddir for more amazingness 2015-07-16 17:36:38 +02:00
Thomas Applencourt
3f84e59f06 Merge pull request #96 from TApplencourt/master
Correction of install Bug
2015-07-16 16:44:54 +02:00
Thomas Applencourt
f49fea0620 Merge branch 'develop' 2015-07-16 15:50:37 +02:00
Thomas Applencourt
582c608b3e REMOVE EZFIO_FILE/REAMD.rst 2015-07-16 15:50:26 +02:00
Thomas Applencourt
295950dbfc Merge branch 'LCPQ-master' into develop 2015-07-16 15:44:59 +02:00
Thomas Applencourt
99444757b1 Epic merge for the doc... 2015-07-16 15:44:51 +02:00
Thomas Applencourt
31e534ba67 Merge tag '0.1.0' into develop
Test
2015-07-16 15:26:56 +02:00
Thomas Applencourt
4d9b1389dc Merge branch 'release/0.1.0' 2015-07-16 15:26:43 +02:00
Thomas Applencourt
ec9bb7fad8 Remove README.rst in Ezfio_file 2015-07-16 15:22:29 +02:00
Thomas Applencourt
d067773d3a Fix coherency 2015-07-16 15:20:31 +02:00
Thomas Applencourt
8eac20aa2e Beter uninstalation 2015-07-16 14:41:39 +02:00
Thomas Applencourt
e195685c4b Going back to png 2015-07-16 14:25:20 +02:00
Thomas Applencourt
aa2166bf1e Beter error handler 2015-07-16 12:15:07 +02:00
Thomas Applencourt
b9215aad50 Clean 2015-07-16 11:39:52 +02:00
Thomas Applencourt
c38e042781 Fix graphiz dl format archive 2015-07-16 10:53:40 +02:00