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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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caffarel
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df6ca0ee05
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Downgraded ZeroMQ to 4.0.7
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2015-12-04 20:02:35 +01:00 |
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6b02b622ba
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Added print in configure for debugging
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2015-11-25 18:55:06 +01:00 |
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c6dd986ad2
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ZeroMQ installation OK
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2015-11-25 13:57:40 +01:00 |
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8ca2815964
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Added CAS+S
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2015-11-25 11:49:42 +01:00 |
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26d02019ed
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Added MP2 wave function
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2015-11-20 13:03:15 +01:00 |
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f80b6d0b0f
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Replaced QP_ROOT by in configure
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2015-11-19 15:56:46 +01:00 |
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f82605fb8a
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Add g++ dependency for Ninja in configure
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2015-10-30 13:54:58 +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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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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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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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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979aa6a793
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Bug in get_excitation_degree_vector
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2015-09-19 01:37:44 +02:00 |
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e31f162e5b
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English in configure
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2015-09-18 22:23:45 +02:00 |
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d071a9e395
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Fixed ninja bug
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2015-09-08 16:42:50 +02:00 |
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a55b3cb651
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Merged with Manu MRCC
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2015-09-08 16:37:46 +02:00 |
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01699dd0c1
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i_H_j_phase_out missing in previous commit
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2015-07-28 18:57:43 +02:00 |
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Thomas Applencourt
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e4d2eda17f
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Add python
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2015-07-21 10:11:12 +02:00 |
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Thomas Applencourt
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99444757b1
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Epic merge for the doc...
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2015-07-16 15:44:51 +02:00 |
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Thomas Applencourt
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c38e042781
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Fix graphiz dl format archive
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2015-07-16 10:53:40 +02:00 |
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Thomas Applencourt
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c7c9243c21
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Fix README and graphiz
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2015-07-16 10:40:57 +02:00 |
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0aff5aa468
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Pseudo-Corrected NaN in pseudo-potentials
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2015-07-03 15:42:12 +02:00 |
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Thomas Applencourt
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f93eeac8e2
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Realy fix #84
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2015-07-03 12:35:24 +02:00 |
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Thomas Applencourt
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09da801b1d
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Fix #87
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2015-07-03 12:18:02 +02:00 |
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Thomas Applencourt
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7553b0877c
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Remove the raise, for only show the 'source message' / cleaning configure
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2015-07-02 09:40:21 +02:00 |
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66e7409980
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QP_ROOT substitution in configure
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2015-07-01 19:29:08 +02:00 |
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7dcc82c223
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Merge branch 'master' of github.com:scemama/quantum_package
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2015-06-30 10:46:53 +02:00 |
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b3996d7b4d
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Minor changes
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2015-06-30 10:46:50 +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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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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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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5be8d24ad2
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configure
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2015-06-16 14:43:24 +02:00 |
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