Manu
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fb1e97ce1a
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bug in mrcc with tiny matrix for the dressing
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2015-07-03 18:50:07 +02:00 |
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Manu
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517c1a14ac
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MRCC(Var) converges
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2015-07-03 11:49:07 +02:00 |
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Manu
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39db434f63
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MRCC(PT2) converges
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2015-07-02 00:45:36 +02:00 |
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Manu
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65466718b0
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Fixed bug in NEEDED_... Molden
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2015-06-29 11:45:54 +02:00 |
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Emmanuel Giner
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b2617ea7fd
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Merge pull request #1 from LCPQ/master
Update before merge
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2015-06-29 11:19:39 +02:00 |
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Manu
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e89191d815
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pouet
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2015-06-29 11:15:47 +02:00 |
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Manu
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89f5d5db44
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fixed bug in generate_h_apply.py for the select_max(i_generators)
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2015-06-29 11:13:00 +02:00 |
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Manu
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ee81a80368
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Beginning the merge with qp old
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2015-06-29 10:35:29 +02:00 |
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Thomas Applencourt
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e883bae24e
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Merge pull request #84 from TApplencourt/master
Remove last shell script and update .gitignore
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2015-06-25 18:39:04 +02:00 |
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Thomas Applencourt
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39aca82195
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Modify gitignore
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2015-06-25 16:52:08 +02:00 |
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Thomas Applencourt
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84178ec68c
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Maj doc for CID
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2015-06-25 10:34:53 +02:00 |
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Thomas Applencourt
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bc6784c92a
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Orthograph in qp_install
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2015-06-25 10:22:19 +02:00 |
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Thomas Applencourt
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ff8746c269
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Fix bug with 2 provider for mo_label
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2015-06-25 10:20:36 +02:00 |
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Thomas Applencourt
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fb1114b84d
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Fix bug for character*(68)
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2015-06-24 17:23:49 +02:00 |
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Thomas Applencourt
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8b52142e91
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Merge pull request #83 from TApplencourt/master
Install sv7 clean
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2015-06-24 13:39:30 +02:00 |
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Thomas Applencourt
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17526b3d53
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Fix tag in readme
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2015-06-24 12:25:19 +02:00 |
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Thomas Applencourt
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5b708a5225
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Update install irp
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2015-06-24 11:58:21 +02:00 |
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Thomas Applencourt
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6cf02c1616
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Cleaning qp_ninja
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2015-06-24 11:38:33 +02:00 |
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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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2c5773dcf2
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Merge pull request #80 from TApplencourt/master
Can install on sv7
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2015-06-24 09:38:39 +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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