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76cc05f7cd
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Save MRCC WF
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2018-07-24 17:59:14 +02:00 |
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9d51395d8d
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Update ZMQ and fix sBk
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2018-07-17 14:05:23 +02:00 |
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ca263297bf
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Fixed selection
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2018-06-25 14:18:46 +02:00 |
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2e326c33e3
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Merge branch 'master' of github.com:LCPQ/quantum_package
Conflicts:
src/Integrals_Bielec/map_integrals.irp.f
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2018-06-07 19:31:15 +02:00 |
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be07768026
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EZFIO and resultsFile moved to GitLab
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2018-06-07 10:02:25 +02:00 |
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7be923f801
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Davidson N_states_diag incrementing
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2018-05-30 13:46:48 +02:00 |
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3a53ba3ea1
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prepend in quantum_package.rc
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2018-05-25 15:56:18 +02:00 |
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Anthony Scemama
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054421533f
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merge master (#71)
* Change the url for GMP. The officiel website is down sometime
* fixed incorrect indices in checking of reverse bielec indexing function (#233)
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2018-05-22 14:56:43 +02:00 |
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Thomas Applencourt
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850c438956
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Change the url for GMP. The officiel website is down sometime
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2018-05-09 17:17:12 -05:00 |
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db72510ce4
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Python2
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2018-05-02 19:52:23 +02:00 |
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600c82c021
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python2
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2018-04-30 18:43:32 +02:00 |
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ab0eb1256b
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Fixed state_average_weight.gz different from array
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2018-02-15 12:00:45 +01:00 |
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Anthony Scemama
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61e65babd3
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Fix for #227 (#228)
* Fixes #223
* Upgrade to OCaml 4.06 and Core 0.10
* Fixes #223 (#226) (#61)
* Fixed qp_edit
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2018-01-22 02:45:17 +01:00 |
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35708de944
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Upgrade to OCaml 4.06 and Core 0.10
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2018-01-22 01:20:06 +01:00 |
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49d85cf27c
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State-average weights and Zsh fix
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2017-12-21 22:59:27 +01:00 |
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Anthony Scemama
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0cf6d6c682
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Merge LCPQ (#58)
* Should fix #215
* Fix path
You should never modify the repo directly...
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2017-12-18 09:35:14 +01:00 |
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e111130454
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MPI broadcast works
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2017-11-23 12:17:47 +01:00 |
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334f165ff1
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First MPI tests seem OK
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2017-11-22 17:07:16 +01:00 |
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24b9348626
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Fixed path problem
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2017-07-22 12:50:44 +02:00 |
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872ce460ab
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Added support for GPI2
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2017-07-21 03:34:07 +02:00 |
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bbb2c925b8
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Typo
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2017-07-11 07:18:59 +02:00 |
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21bcaa0bf1
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Removed production mode in configure
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2017-05-23 18:37:41 +02:00 |
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6882c915d8
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Cleaning
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2017-04-20 19:02:46 +02:00 |
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c9cf03479a
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Merge some changes
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2017-04-20 18:38:31 +02:00 |
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Yann Garniron
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48adebac20
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bug correction - fixed zlib link
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2017-01-18 15:53:51 +01:00 |
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Anthony Scemama
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bdd71bcaff
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Merge pull request #179 from barrymoo/allow_non-default_opamroot
Allow for non-default OPAMROOT locations
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2017-01-04 09:53:42 +01:00 |
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Thomas Applencourt
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66dea5e7b8
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Corrected OPAM_PATH
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2017-01-03 19:29:09 -06:00 |
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Barry Moore
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092992aa49
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Minimize code addition
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2017-01-03 19:39:31 -05:00 |
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Barry Moore
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ddf798119f
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Allow for non-default OPAMROOT locations
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2017-01-03 18:47:21 -05:00 |
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Barry Moore
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3af4913e2d
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Minor fix to zlib download
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2017-01-03 18:03:39 -05:00 |
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33ee115062
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Removed gmp and zarith dependencies by forcing cryptokit 1.10
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2016-12-02 16:20:02 +01:00 |
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366b0b66c2
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Updated travis script
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2016-12-02 12:07:19 +01:00 |
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07b48ef2f7
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Updated install scripts
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2016-12-02 12:04:38 +01:00 |
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afc4111e24
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Fixed "Unable to bind socket"
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2016-10-28 17:40:36 +02:00 |
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c8a5cf37cd
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Working on davidson
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2016-09-23 16:16:48 +02:00 |
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Yann Garniron
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6f63767823
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in progress - iterations
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2016-07-13 18:12:25 +02:00 |
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eec834be96
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Print mask
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2016-04-16 21:18:38 +02:00 |
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20a857c446
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Distributed PT2
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2016-02-19 00:20:28 +01:00 |
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Thomas Applencourt
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d93debe2db
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Update configure
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2016-02-03 18:01:28 +01:00 |
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9d3900c7ee
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qp_module is now case insensitive
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2016-01-27 17:15:57 +01:00 |
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b72c8a03f6
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Improved tests
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2016-01-05 01:04:52 +01:00 |
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adc95a3678
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Merge branch 'master' of https://github.com/TApplencourt/quantum_package into TApplencourt-master
Conflicts:
install/scripts/install_ocaml.sh
testing_no_regression/unit_test.py
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2016-01-04 10:18:09 +01:00 |
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TApplencourt
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86828cc6d6
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Add bats
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2015-12-14 08:17:55 +01:00 |
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TApplencourt
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97cc7e66e0
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Fix head in configure
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2015-12-14 08:16:13 +01:00 |
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TApplencourt
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229b7c5bb2
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Fix travis
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2015-12-14 08:14:06 +01:00 |
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TApplencourt
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c02a7ca735
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Fix travil
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2015-12-14 08:13:16 +01:00 |
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77adda256a
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Repaired Download in travis
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2015-12-11 15:11:43 +01:00 |
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9c94916ad1
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Print error in configure for travis
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2015-12-11 15:09:19 +01:00 |
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c2063fb722
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Fixed f77zmq.h in configure
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2015-12-11 14:40:13 +01:00 |
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e223b1b7e4
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Add ZMQ before ocaml install
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2015-12-08 11:31:02 +01:00 |
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