Thomas Applencourt
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95c7861cbc
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Fix #82
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2015-06-24 11:34:03 +02:00 |
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Thomas Applencourt
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b815828f38
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Merge
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2015-06-24 10:52:32 +02:00 |
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Thomas Applencourt
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4205e42820
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Fix maj tree
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2015-06-24 10:51:49 +02:00 |
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Thomas Applencourt
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90bec251cb
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Rename module AOs MOs into {}_Basis
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2015-06-24 10:32:12 +02:00 |
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Thomas Applencourt
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7660b955e9
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Restor Full_CI tree
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2015-06-24 09:37:38 +02:00 |
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Thomas Applencourt
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ac37c2dab8
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Workaround for IRP bug
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2015-06-24 09:02:22 +02:00 |
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Thomas Applencourt
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82d74710bd
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Cleaning module_handler
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2015-06-23 18:46:09 +02:00 |
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Thomas Applencourt
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8accde8b19
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Cleaning module_handler
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2015-06-23 18:43:56 +02:00 |
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Thomas Applencourt
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9dc586364d
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Remove file
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2015-06-23 18:00:03 +02:00 |
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Thomas Applencourt
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aeac23b6f4
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Bash to call irpf90 -v
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2015-06-23 16:04:37 +02:00 |
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Thomas Applencourt
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c85a288605
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Working
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2015-06-23 16:01:44 +02:00 |
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Thomas Applencourt
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6d4c22a2b0
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check irp version...
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2015-06-23 15:23:45 +02:00 |
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Thomas Applencourt
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b3676c43d0
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OK
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2015-06-23 14:19:54 +02:00 |
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Thomas Applencourt
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45054db18e
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Remove ezfio_config
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2015-06-23 14:07:03 +02:00 |
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Thomas Applencourt
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a0407bf89f
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And remove ancestor
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2015-06-23 10:04:59 +02:00 |
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Thomas Applencourt
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1b53c55a1c
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Merge pull request #21 from LCPQ/master
Cleaning
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2015-06-22 11:35:54 +02:00 |
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Thomas Applencourt
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76823bf788
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Merge pull request #79 from scemama/master
qp_install cleaning
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2015-06-22 11:20:10 +02:00 |
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0cae555dc1
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Cleaned aux_basis bug
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2015-06-22 10:44:18 +02:00 |
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9d3d9f45b9
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qp_install uninstall
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2015-06-22 10:37:17 +02:00 |
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b0515ac93e
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qp_root tmp directory
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2015-06-22 10:22:00 +02:00 |
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8d5cb6dcad
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Error message
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2015-06-22 10:04:22 +02:00 |
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01aeaffaf1
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Merge branch 'master' of github.com:scemama/quantum_package
Conflicts:
scripts/compilation/qp_create_ninja.py
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2015-06-22 09:43:48 +02:00 |
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50efbb349f
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Reduce stack size
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2015-06-22 09:41:31 +02:00 |
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Anthony Scemama
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cc1d5140dd
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Merge pull request #14 from LCPQ/master
Merge qp_install
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2015-06-22 09:41:11 +02:00 |
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9548cf14d4
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Work on QMC=Chem interface
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2015-06-21 23:08:18 +02:00 |
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Thomas Applencourt
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ac24ddb73b
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Merge pull request #78 from TApplencourt/master
README
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2015-06-20 20:09:46 +02:00 |
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Thomas Applencourt
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623167cf9c
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Canot use cache for now... =(
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2015-06-19 19:26:50 +02:00 |
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Thomas Applencourt
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5d5c93ff78
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Try Travis cache
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2015-06-19 19:13:35 +02:00 |
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Thomas Applencourt
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a2966d2999
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Update doc
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2015-06-19 18:58:58 +02:00 |
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Thomas Applencourt
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a07312b077
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Update doc
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2015-06-19 18:58:36 +02:00 |
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Thomas Applencourt
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4bf9c4b6f4
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Merge pull request #77 from TApplencourt/master
Add qp_intall_module !
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2015-06-19 11:28:33 +02:00 |
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Thomas Applencourt
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c6128f7a22
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Fix ei_handler ocaml_global
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2015-06-19 10:32:19 +02:00 |
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Thomas Applencourt
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d7c0b755ab
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Try to debug travis
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2015-06-19 09:54:21 +02:00 |
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Thomas Applencourt
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93eafd009d
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Update the EZFIO.cfg with the new keyword
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2015-06-18 15:04:44 +02:00 |
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Thomas Applencourt
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0342bc009e
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Nice readme [ci skip]
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2015-06-18 13:58:33 +02:00 |
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Thomas Applencourt
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8ab03b407a
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Update readme [ci skip]
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2015-06-18 13:53:43 +02:00 |
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Thomas Applencourt
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3a0f55d4d0
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Update README
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2015-06-18 13:51:27 +02:00 |
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Thomas Applencourt
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40b949f47a
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Cleaning the test
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2015-06-18 12:08:28 +02:00 |
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Thomas Applencourt
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1b3a15c794
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Fix create_exetuables to flow symlink
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2015-06-18 11:20:52 +02:00 |
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Thomas Applencourt
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abbcb3195a
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Change global variable
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2015-06-18 11:11:14 +02:00 |
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Thomas Applencourt
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4708a2d93c
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Move densityfit for bad raison
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2015-06-18 10:23:48 +02:00 |
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Thomas Applencourt
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4eb38cf1e5
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Add qp_path.py and change module_handler acordingly
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2015-06-18 10:21:37 +02:00 |
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Thomas Applencourt
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dbbe9da571
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First travis module
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2015-06-17 19:00:31 +02:00 |
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Thomas Applencourt
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6a91e63cf3
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Move into plugins
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2015-06-17 18:23:56 +02:00 |
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Thomas Applencourt
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a0fada5676
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Add suport of symlink in src
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2015-06-17 18:16:14 +02:00 |
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Thomas Applencourt
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65085df038
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Maj doc
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2015-06-17 16:16:03 +02:00 |
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Thomas Applencourt
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5de0128c85
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Merge pull request #19 from LCPQ/master
Correct gfortran
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2015-06-17 16:11:58 +02:00 |
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Thomas Applencourt
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355543a448
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Merge pull request #73 from scemama/master
Configure script
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2015-06-17 13:09:27 +02:00 |
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f15c6583ec
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-I . is important for gfortran
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2015-06-17 10:49:43 +02:00 |
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8d35cf1425
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configure
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2015-06-16 14:52:20 +02:00 |
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