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2422 Commits

Author SHA1 Message Date
Matteo Giantomassi 4ad68a96f9 Fix portability issues 2017-10-28 03:59:42 +02:00
Matteo Giantomassi 9aa0a0f404 Big refactorin in robot code, deprecate frame_from_ replaced by dataframe_from 2017-10-28 02:55:31 +02:00
Matteo Giantomassi 404a5c6e6d Cleanup 2017-10-28 01:35:53 +02:00
Matteo Giantomassi d4dcaf244a Use Has_Header mixin 2017-10-28 00:55:54 +02:00
Matteo Giantomassi 8f7a36e6f7 Ignore deprecation warnings issued by pmg if py2.7 2017-10-28 00:08:36 +02:00
Matteo Giantomassi ebbf4a9c44 Try to reactivate mayavi and iwidgets 2017-10-27 23:25:15 +02:00
Matteo Giantomassi 7abef8deba Fix travis again 2017-10-27 22:48:20 +02:00
Matteo Giantomassi 24d2f9d18d Use my pymatgen version for travis 2017-10-27 22:27:31 +02:00
Matteo Giantomassi 8187d7e3b6 Prototypes for eph 2017-10-27 21:53:05 +02:00
Matteo Giantomassi 9a2edd34a8 Add refs for optic and ddk 2017-10-25 23:07:38 +02:00
Matteo Giantomassi c315c7126c Add examples for Fermi surface and optic 2017-10-25 19:39:11 +02:00
Matteo Giantomassi 33a1923b8f make_ddk_inputs should be called with keyword args 2017-10-25 00:14:32 +02:00
Matteo Giantomassi 930c93f6ed Try pip 2017-10-17 01:52:56 +02:00
Matteo Giantomassi d2d76f98ba Try conda install libgcc 2017-10-17 01:13:21 +02:00
Matteo Giantomassi eb85f80c3d Try dist: precise 2017-10-16 23:52:23 +02:00
Matteo Giantomassi 1739ee26fb Use conda to install pymatgen 2017-10-16 22:52:52 +02:00
Matteo Giantomassi 527dccfe9e Try sudo false 2017-10-16 22:43:56 +02:00
Matteo Giantomassi 86278e50b6 Try phonopy after pmg 2017-10-16 21:07:32 +02:00
Matteo Giantomassi 6e725c5958 Deactiva mayavi tests 2017-10-16 20:46:23 +02:00
Matteo Giantomassi 43db879420 Disable mayavi and iwidgets tests on Travis 2017-10-16 11:40:07 +02:00
Matteo Giantomassi 7603226643 Merge branch 'develop' of https://github.com/abinit/abipy into develop 
* 'develop' of https://github.com/abinit/abipy:
  Fixed missing lines in symafm variable
  Fixed some bugs in the update_header function in ddb.py
 2017-10-16 11:25:15 +02:00
Matteo Giantomassi 1bf0e4ec92 Improve ddb.__str__ 2017-10-16 11:25:11 +02:00
gmatteo 58d21cc50e Merge pull request #131 from henriquemiranda/develop 
The update_header function in ddb.py passes the AlAs_1qpt_DDB test
 2017-10-16 11:24:46 +02:00
Henrique Miranda dfb23b9ddf Fixed missing lines in symafm variable 2017-10-16 10:13:15 +02:00
Matteo Giantomassi 5968654b56 Fix links to vars, add ignore_imag option to GW dataframes 2017-10-15 14:47:58 +02:00
Matteo Giantomassi 0eae806346 Update notebooks 2017-10-14 01:42:30 +02:00
Henrique Miranda dc8e1199bd Fixed some bugs in the update_header function in ddb.py 2017-10-13 00:12:54 +02:00
Matteo Giantomassi 7684ffbcb2 Move basic lessons to new package abitutorials 2017-10-11 18:36:27 +02:00
gmatteo 4f61cbe15b Merge pull request #130 from henriquemiranda/dfpt_ddb_update_header 
Implemented a the update_header function to rewrite the ddb header
 2017-10-09 16:51:25 +02:00
Henrique Miranda 531168d366 Implemented a the update_header function to re-write the header of the ddb file using the dictionary that was read. 2017-10-04 21:22:17 +02:00
Matteo Giantomassi 2d27cd9741 Add manneback manager contributed by Vishank 2017-09-26 15:00:46 +02:00
Matteo Giantomassi f7e82748ff Distribute manager files 2017-09-24 22:32:59 +02:00
Matteo Giantomassi 8ebcf7df40 Remove tests for seaborn interactplot (removed upstream) 2017-09-24 20:38:10 +02:00
Matteo Giantomassi 5f1d9652b9 Remove support for seaborn interact plot 2017-09-21 13:40:34 +02:00
Matteo Giantomassi bde733f7ce Activate xvfb on travis, support show_unstable in PD plotter (not compatible with old pymg) 2017-09-21 12:39:09 +02:00
Matteo Giantomassi c9711484b0 Import pymatgen.util.serialization first 2017-09-20 15:37:02 +02:00
Matteo Giantomassi 56d7e4a15a Deactivate vtk test 2017-07-20 15:46:39 +02:00
Matteo Giantomassi 59278eb88e Add abicheck.py --show-managers options 2017-07-20 15:06:42 +02:00
Matteo Giantomassi 171d2c7234 Add abiview abo and abistruct abikmesh 2017-07-18 20:24:37 +02:00
Matteo Giantomassi 015c87f421 prototype for view_phononwebsite 2017-07-17 18:25:44 +02:00
Matteo Giantomassi 9593c57d93 Add abirun FLOWDIR debug_reset 2017-07-16 14:21:26 +02:00
Matteo Giantomassi 8357c0151e Add abirun [FLOWDIR] abivars -vn ecut,nband 2017-07-15 14:13:37 +02:00
Matteo Giantomassi e4dc470111 Add abirun.py FLOWDIR structures command 2017-07-15 12:10:53 +02:00
Matteo Giantomassi 386ca5573c Update docs 2017-07-14 14:29:56 +02:00
Matteo Giantomassi 7c64d1e94b Install vtk with conda if py3.6 2017-07-14 14:26:55 +02:00
Matteo Giantomassi 4cd3d09cda Fix mayavi installation 2017-07-14 14:14:16 +02:00
Matteo Giantomassi e1188339f6 Install mayavi with pip if py3.6 2017-07-14 14:07:27 +02:00
Matteo Giantomassi 62db6244a7 Activate mayavi tests on travis 2017-07-14 13:29:41 +02:00
Matteo Giantomassi a7d9fd088e Add plot_transitions to plot bands with arrows denoting possible IP transitions 2017-07-14 13:22:23 +02:00
Matteo Giantomassi c7f1f4a726 Move to pymatgen/master 2017-07-12 18:25:03 +02:00