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2783 Commits

Author SHA1 Message Date
gmatteo f6f10b09ed Update readme 2019-10-19 00:47:54 +02:00
gmatteo 0eca1c32cb Fix long_description 2019-10-18 17:22:08 +02:00
gmatteo e5ab0e7cfc v0.7 (Require pymatgen>=2019.10.16) 2019-10-18 16:32:03 +02:00
gmatteo e553eaaf70 Reactivate noml 2019-10-18 15:59:45 +02:00
gmatteo 49df165823 Use pip 2019-10-18 14:57:04 +02:00
gmatteo 1235c22053 Install apsscheduler 2019-10-18 14:52:19 +02:00
gmatteo d3879d435d Debugging conda build 2019-10-18 14:44:33 +02:00
gmatteo 5ae901f334 Remove releases 2019-10-17 21:44:54 +02:00
gmatteo 08e155eb99 Reintegrate phonon_conv_flow 2019-10-17 20:33:16 +02:00
gmatteo f9134bc062
Merge pull request #187 from abinit/workflow_refactoring 
Workflow refactoring
 2019-10-17 01:30:49 +02:00
gmatteo 19483a0d2e update matrix 2019-10-17 01:05:07 +02:00
gmatteo 824e6a0c12 Remove matsci, use conda-forge 2019-10-17 00:41:54 +02:00
gmatteo 1b27e28bd8 Remove unused piece of code 2019-10-16 23:30:31 +02:00
gmatteo 7dcaccdb56 Reorganize new modules 2019-10-16 16:58:43 +02:00
gmatteo cfc6c31bc5 Remove calculations module 2019-10-16 14:58:53 +02:00
gmatteo d602d37308 Remove DDK file, use atags 2019-10-16 03:21:31 +02:00
gmatteo b22680d09b pylint (unused import) 2019-10-16 01:13:50 +02:00
gmatteo 5425a402d9 Minor fixes in travis 2019-10-15 14:25:04 +02:00
gmatteo b2ea35bee7 Unpin sphinx, use my pymatgen/workflow_refactoring branch for tests 2019-10-15 14:09:40 +02:00
gmatteo fdf268b09e Travis 2019-10-15 04:39:56 +02:00
gmatteo c8e1efe8d9 Remove phonon_flow 2019-10-15 01:24:28 +02:00
gmatteo 78ed33ea32 Fix remaining pycodestyle issues 2019-10-14 20:04:22 +02:00
gmatteo f3147b54bd pycodestyle 2019-10-14 15:52:42 +02:00
gmatteo 97cf116b12 Remove six 2019-10-13 16:37:55 +02:00
gmatteo bbda12457a Mv transport to eph dir 2019-10-13 04:09:22 +02:00
gmatteo e01c8a8f50 Replace py2 constructs with py3k 2019-10-13 03:21:14 +02:00
gmatteo 378c73221e cleanup 2019-10-13 01:59:42 +02:00
gmatteo 9983c0447a Change unit tests to reflect new ordering in types_of_specie (not my fault) 2019-10-11 16:37:58 +02:00
gmatteo 7beb700fb2 Fix Yet another API incompatibility 2019-10-11 14:37:28 +02:00
gmatteo 3751cd540e Partially fix flow-gallery generation 2019-10-11 13:59:33 +02:00
gmatteo 64d28941aa
Merge pull request #186 from henriquemiranda/workflow_refactoring 
Workflow refactoring
 2019-10-11 13:57:06 +02:00
Henrique Miranda f320bdcd74 Merge branch 'abinit-workflow_refactoring' into workflow_refactoring 2019-10-11 08:30:56 +02:00
Henrique Miranda 3cfc6d7d0a Adressed two problems in the phonon visualization using the phononwebsite. 2019-10-11 08:30:26 +02:00
gmatteo 1fe9ab5a6d
Merge pull request #185 from gpetretto/workflow_refactoring 
small updates and fixes
 2019-10-07 10:26:03 +02:00
Guido Petretto cdc658d32d Merge remote-tracking branch 'upstream/workflow_refactoring' into dfpt_wf 2019-10-07 10:11:40 +02:00
Guido Petretto f207d57653 small updates 2019-10-07 10:11:33 +02:00
gmatteo 3ac0675784 Continue to fix unit tests 2019-10-02 18:53:49 +02:00
gmatteo f86e35f339 Improve doc 2019-10-01 15:16:25 +02:00
gmatteo 9b0b5737dc Continue to fix unit tests 2019-10-01 15:00:51 +02:00
gmatteo eb38735f3c Fix unit tests 2019-09-30 22:14:31 +02:00
Henrique Miranda b22c93d785 Merge remote-tracking branch 'abinit/workflow_refactoring' into workflow_refactoring 2019-09-24 14:23:52 +02:00
Henrique Miranda 85e6e56e41 Removed boltztrap interface as it is not going to be used anymore 2019-09-24 10:11:30 +02:00
gmatteo 6ffb232e4b Activate msqd tests, fix deprecation warnings 2019-09-21 23:48:07 +02:00
gmatteo 3a4662f343 Merge branch 'develop' into workflow_refactoring 2019-09-05 11:50:00 +03:00
gmatteo 6561735337 Merge branch 'develop' of https://github.com/abinit/abipy into develop 2019-09-05 11:46:14 +03:00
gmatteo 4b059a8f8b Add link to Guido's talk 2019-09-05 11:45:30 +03:00
gmatteo 19c5748074 Import changes from pmg 2019-09-04 11:26:59 +03:00
gmatteo 38706526dd Rm wrmax file, merged in v1qavg 2019-08-02 10:53:03 +02:00
Henrique Miranda efc8f70abe Merge branch 'abinit-workflow_refactoring' into workflow_refactoring 2019-08-01 09:46:48 +02:00
gmatteo 176c851152 Back to qdamp convention 2019-07-31 10:37:22 +02:00