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2422 Commits

Author SHA1 Message Date
Matteo Giantomassi 28e96c43a7 Fix sphinx.util.compat ImportError 2018-02-14 12:48:34 +01:00
Matteo Giantomassi 48b609b110 Change values of what in edos.plot_ax 2018-02-13 23:28:59 +01:00
Matteo Giantomassi d38cfe8d7c Fix typos in manager examples. use ulimit -s unlimited 2018-02-13 20:51:04 +01:00
Matteo Giantomassi 77043672a1 Add matplotlib structure.plot 2018-02-12 19:48:58 +01:00
Matteo Giantomassi 06b20e7dee Use Slideshow in abiview 2018-02-12 12:56:33 +01:00
Matteo Giantomassi 9bc1f86f0c Finalie itest for flow from DEN file. 2018-02-11 20:03:42 +01:00
Matteo Giantomassi fa4474f804 Use static methods in AbiPyTest so that we can reuse them with pytest 2018-02-11 17:30:24 +01:00
Matteo Giantomassi 65f48523cf Add itest for flows from files. 2018-02-11 16:08:45 +01:00
Matteo Giantomassi e3afb4d3fc axlist --> ax_list, axmat --> ax_mat in plot methods 2018-02-10 16:02:08 +01:00
Matteo Giantomassi 667fa30f9f Replace subplots with get_axarray_fig_plt 2018-02-09 19:34:22 +01:00
Matteo Giantomassi dcc3752aeb Fix unit test 2018-02-09 17:50:56 +01:00
Matteo Giantomassi 3986312128 Improve coverage 2018-02-09 16:00:11 +01:00
Matteo Giantomassi dd7cb9e95c Add sharey arg 2018-02-09 02:12:31 +01:00
Matteo Giantomassi 9de2273da3 Fix typo 2018-02-09 00:53:30 +01:00
Matteo Giantomassi cc54859f3c Add klabels, abicomp.py now open ipython terminal by default if robot mode 2018-02-09 00:45:40 +01:00
Matteo Giantomassi e197e0b726 Deprecate SigresPlotter, refactor Sigres and GW self-energy 2018-02-08 23:11:51 +01:00
Matteo Giantomassi 5e4e9d4177 Fix unit tests 2018-02-07 20:21:09 +01:00
Matteo Giantomassi 717c423900 Improve coverage 2018-02-07 19:43:46 +01:00
Matteo Giantomassi 379470f3e5 Fix possible bug in matplotlib plot in decorate_ax if first point is not recognized 2018-02-07 14:15:07 +01:00
Matteo Giantomassi bc619ce5a5 Increase pad_fermie to 1e-3 2018-02-06 18:27:35 +01:00
Matteo Giantomassi cc269bf6b4 Add ddb.anacompare_dipdip, from_material_id --> from_mpid 2018-02-04 22:01:02 +01:00
Matteo Giantomassi 5c88bfca3f Make robots more dict-like 2018-01-31 10:02:02 +01:00
Matteo Giantomassi 4d6707a3c8 Set mem_test to 0 in inp.abiget methods, fix bug in AbinitOutput if carriage-return chars 2018-01-29 15:38:37 +01:00
Matteo Giantomassi cbc55c00fc Fix unit test 2018-01-28 23:59:47 +01:00
Matteo Giantomassi 8cce76f670 Add tests for PHDOS integrals (from ref files and anaddb) 2018-01-28 23:08:43 +01:00
Matteo Giantomassi 3d6e963d15 Fix unit tests 2018-01-27 15:29:47 +01:00
Matteo Giantomassi dbf5f49d45 Add PhbstRobot and abicomp phbst ... 2018-01-27 14:25:42 +01:00
Matteo Giantomassi 4113015095 Add iref to get_energyterms_dataframe 2018-01-26 17:41:24 +01:00
Matteo Giantomassi 0330ad222f Add plot_phdispl 2018-01-26 17:33:41 +01:00
Matteo Giantomassi 8fc326c25e Fix unit tests 2018-01-23 00:12:26 +01:00
Matteo Giantomassi e84ccabe2a Change default values: automatic for lo_to_splitting and std for highsym_qpts_modes 2018-01-22 23:38:45 +01:00
Matteo Giantomassi 1d2ab050a7 Fix unit tests 2018-01-22 03:12:51 +01:00
Matteo Giantomassi ff8bc898c5 Move helper functions to abinit_units 2018-01-22 02:23:40 +01:00
Matteo Giantomassi 5e3c542fec Merge branch 'develop' of https://github.com/abinit/abipy into develop 
* 'develop' of https://github.com/abinit/abipy:
  ASR breaking
  anaget_dielectric_tensor_generator
 2018-01-22 01:06:05 +01:00
Matteo Giantomassi f33bfcf344 Add GsrRobot.plot_with_hue 2018-01-22 01:05:54 +01:00
gmatteo ed3b440ef5
Merge pull request #139 from gpetretto/develop 
phonons
 2018-01-22 00:11:34 +01:00
guido 2b1bf8f9c2 ASR breaking 2018-01-21 23:25:02 +01:00
guido 8f7de40ed4 anaget_dielectric_tensor_generator 2018-01-21 23:24:42 +01:00
gmatteo f2b7ebd2a6 Add DDB for MgB2(nkpt, tsmear) 2018-01-21 00:47:23 +01:00
Matteo Giantomassi 08c5b1dd47 Strip strings in ETSF_Reader.chemical_symbols (bug in ph-pjdos if e.g. Mg, O) 2018-01-20 20:57:07 +01:00
Matteo Giantomassi e8cebc20c4 Move helper functions to abinit_units 2018-01-20 01:08:16 +01:00
Matteo Giantomassi 1fcb2a96db Export plot methods via RobotWithPhbands mixin 2018-01-19 21:49:11 +01:00
Matteo Giantomassi d6e5425caf Add robot.plot_egaps 2018-01-19 14:44:05 +01:00
Matteo Giantomassi e16ef710fa Add robot.plot_convergence_items 2018-01-19 01:32:30 +01:00
Matteo Giantomassi b22aea67b4 Fix syntax error 2018-01-19 00:21:48 +01:00
Matteo Giantomassi 46a2b6caa6 Remove ddb.update_heaer, add ddb.anacompare_asr with example 2018-01-19 00:00:45 +01:00
Matteo Giantomassi 6fb5d98680 Minor fixes 2018-01-16 02:34:21 +01:00
Matteo Giantomassi e77ab74021 Fix sigres unit test 2018-01-16 00:07:39 +01:00
Matteo Giantomassi 18397f0731 Add robot.plot_convergence(key, sortby, hue) 2018-01-15 23:23:53 +01:00
gmatteo 47b668de01
Merge pull request #138 from gpetretto/develop 
fix to_pymatgen conversion for phonon DOS
 2018-01-15 23:01:55 +01:00