TApplencourt
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037ad1bb35
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Change tresh scf in test
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2015-10-28 15:11:56 +01:00 |
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TApplencourt
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ebaeb669a1
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Lower det num for full_ci test
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2015-10-28 14:58:08 +01:00 |
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TApplencourt
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3b132a5d89
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Add install_bats script
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2015-10-28 14:49:12 +01:00 |
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TApplencourt
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e09b749892
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Install bats
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2015-10-28 14:46:19 +01:00 |
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TApplencourt
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3f2ac415c6
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Add test
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2015-10-28 13:51:11 +01:00 |
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Yann Garniron
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48c91aeda7
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Merge branch 'master' of https://github.com/garniron/quantum_package
Conflicts:
plugins/MRCC_Utils/README.rst
plugins/MRCC_Utils/mrcc_dress.irp.f
src/Determinants/README.rst
src/Determinants/davidson.irp.f
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2015-10-26 08:31:44 +01:00 |
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Yann Garniron
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cad30f56f9
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connected_to_ref
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2015-10-25 21:23:12 +01:00 |
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Yann Garniron
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d1c1ae8cb4
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connected_to_ref
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2015-10-23 17:10:04 +02:00 |
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Thomas Applencourt
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92e2ab1c40
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Merge pull request #107 from garniron/master
filter_connected_davidson sans proxy
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2015-10-23 14:12:46 +02:00 |
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Yann Garniron
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0232df92af
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Merging and update doc
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2015-10-23 10:00:24 +02:00 |
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Yann Garniron
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48bc50d543
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Merge branch 'LCPQ-master'
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2015-10-23 09:52:39 +02:00 |
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Yann Garniron
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acaa0c7636
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Merging
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2015-10-23 09:51:43 +02:00 |
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Yann Garniron
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47cc54f668
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filter_connected_davidson sans proxy
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2015-10-22 11:24:04 +02:00 |
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Yann Garniron
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9186be8c56
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tri alpha/beta simple pour filter_connected_davidson
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2015-10-22 11:10:20 +02:00 |
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Yann Garniron
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b6000270ca
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tri alpha/beta simple pour filter_connected_davidson
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2015-10-21 15:50:15 +02:00 |
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3916394328
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Bug corrected
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2015-10-19 20:14:47 +02:00 |
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5470e05913
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Added target_pt2_qmc
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2015-10-19 17:28:08 +02:00 |
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9107aee5ac
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Merge branch 'master' of https://github.com/LCPQ/quantum_package
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2015-10-17 16:20:15 +02:00 |
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adbfd7c90e
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bit_kind
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2015-10-17 16:19:50 +02:00 |
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Anthony Scemama
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26f5d4fdd1
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Update gfortran.cfg
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2015-10-17 15:59:22 +02:00 |
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efe8cbe28d
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Sort gitignore in ocaml
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2015-10-17 15:54:29 +02:00 |
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fa8a983681
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Removed -mavx
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2015-10-17 15:50:17 +02:00 |
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e01ac55470
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Bug in pseudo
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2015-10-17 15:01:15 +02:00 |
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5409607372
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Accelerated pseudopotentials
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2015-10-17 02:19:36 +02:00 |
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1363b436e3
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Accelerated pseudopotentials
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2015-10-16 14:33:57 +02:00 |
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e28de8a15e
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Merge branch 'master' of https://github.com/garniron/quantum_package into garniron-master
Conflicts:
ocaml/.gitignore
plugins/CAS_SD/README.rst
plugins/Full_CI/README.rst
plugins/MRCC_Utils/README.rst
plugins/Perturbation/README.rst
src/Determinants/README.rst
src/Ezfio_files/README.rst
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2015-10-16 13:55:32 +02:00 |
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Yann Garniron
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4af7cf1104
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minilist simple pour mrcc_dress
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2015-10-16 13:14:19 +02:00 |
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Yann Garniron
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bbbc72341a
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minilist primitive/tri par alpha en cours
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2015-10-16 13:06:19 +02:00 |
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57b9f1d0c2
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Merge branch 'master' of github.com:scemama/quantum_package
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2015-10-13 09:27:14 +02:00 |
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TApplencourt
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210651eaca
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English
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2015-10-08 13:16:09 +02:00 |
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TApplencourt
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1049a62768
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Merge branch 'LCPQ-master'
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2015-10-08 13:11:05 +02:00 |
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TApplencourt
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098b796f4a
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Fix conflic
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2015-10-08 13:10:52 +02:00 |
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TApplencourt
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d56f2d572f
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Add g++ for ninja compilation
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2015-10-08 13:08:23 +02:00 |
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Anthony Scemama
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3aeed2f855
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Merge pull request #103 from scemama/master
English corrected
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2015-10-07 21:16:06 +02:00 |
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e32fa56bc2
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English
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2015-10-06 20:54:10 +02:00 |
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dc3cfb9dbd
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English
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2015-10-06 15:33:11 +02:00 |
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Anthony Scemama
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53738c8355
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Merge pull request #102 from garniron/master
Fix typo
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2015-10-05 14:44:01 +02:00 |
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Yann Garniron
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59a2d2a56d
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Fix typo
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2015-10-05 14:27:18 +02:00 |
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TApplencourt
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f4c03bffe2
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Fix some ezfio path
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2015-09-30 13:47:22 +02:00 |
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TApplencourt
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ebb3d391bd
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qp_install_module -> qp_module
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2015-09-30 13:36:53 +02:00 |
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TApplencourt
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5dc7810bde
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Fix ezfio path and ocaml version
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2015-09-30 13:19:45 +02:00 |
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Thomas Applencourt
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9eae6e0d9c
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Merge pull request #27 from LCPQ/master
Merging
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2015-09-30 13:17:43 +02:00 |
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21f18406b7
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Integrals goind from Write to Read
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2015-09-22 13:42:23 +02:00 |
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f04e6619a5
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Memory allocation bug in Huckel guess corrected
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2015-09-22 13:35:42 +02:00 |
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8b8946f1e3
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OpenMP reduction bug for large systems solved
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2015-09-22 13:05:42 +02:00 |
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6476d432be
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Added EZFIO.cfg for CISD
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2015-09-22 09:47:07 +02:00 |
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3ca25bc422
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Merge branch 'master' of lpqlx139:quantum_package
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2015-09-22 09:36:41 +02:00 |
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914e88e366
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Cleaned gitignore
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2015-09-22 09:36:31 +02:00 |
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787d58cfc9
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Error in bash scripts
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2015-09-22 09:08:26 +02:00 |
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8731ba6748
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Error in bash script
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2015-09-22 09:07:34 +02:00 |
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