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abipy
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71 Commits

Author SHA1 Message Date
gonzex b6ec7dcace Clean modifications of README.rst in abipy. (#165) 
* Insert one sentence to explain why conda install --file ./requirements-optional.txt is suggested.

* More explanations in the README.rst .

* Fix typos. Specify how to get a PMG_MAPI_KEY.

* Several minor modifs

* Minor modif, slightly more accurate wording.

* Transfer the section explaining how to install conda from the abitutorial/README.md file.

* Improve the previous commit

* And now ...

* Next trial

* Now should work

* Complete README.rst with information coming from abitutorials. Also import the manager directory from abitutorials.

* Fix formatting problems.

* More formatting fixes.

* Continue to work on the README.rst, minor modifs.

* Fix links

* Commas

* Minor correction

* Previous modif did not work

* Fixes

* Unify the environment name, now abienv everywhere (instead of possibly abipy3.6).

* Final modifs of README.rst

* Fix missing :: in README.rst , causing unformatted apprearance on github.

* Remove the managers dir, and update the associated doc.
 2018-08-01 14:24:03 +02:00
gonzex 74b58de229 Make README.rst more complete. (#164) 
* Insert one sentence to explain why conda install --file ./requirements-optional.txt is suggested.

* More explanations in the README.rst .

* Fix typos. Specify how to get a PMG_MAPI_KEY.

* Several minor modifs

* Minor modif, slightly more accurate wording.

* Transfer the section explaining how to install conda from the abitutorial/README.md file.

* Improve the previous commit

* And now ...

* Next trial

* Now should work

* Complete README.rst with information coming from abitutorials. Also import the manager directory from abitutorials.

* Fix formatting problems.

* More formatting fixes.

* Continue to work on the README.rst, minor modifs.

* Fix links

* Commas

* Minor correction

* Previous modif did not work

* Fixes

* Unify the environment name, now abienv everywhere (instead of possibly abipy3.6).

* Final modifs of README.rst
 2018-07-31 22:39:07 +02:00
gonzex 4510f1d4e4 Fix typos ; minor style improvements. (#163) 
* Insert one sentence to explain why conda install --file ./requirements-optional.txt is suggested.

* More explanations in the README.rst .

* Fix typos. Specify how to get a PMG_MAPI_KEY.

* Several minor modifs

* Minor modif, slightly more accurate wording.
 2018-07-27 23:12:25 +02:00
gonzex ee61d8e7ed Insert one sentence to explain why conda install --file ./requirements-optional.txt is suggested. (#161) 2018-07-26 13:53:43 +02:00
gonze 205c69adbe Complete instruction to follow when inconsistent dependencies. 2018-07-25 06:35:39 +02:00
gonze 363c651493 Merge remote-tracking branch 'remotes/origin/develop' into develop 2018-07-25 06:32:56 +02:00
Matteo Giantomassi 0a6a904ad4 Document how to solve inconsistent deps with conda 2018-07-23 17:30:43 +02:00
gonze eafdfc2815 Merge branch 'develop' of https://github.com/abinit/abipy into develop 2018-07-23 06:38:10 +02:00
gonze 5f31e99f43 Typo 2018-07-23 06:37:56 +02:00
Matteo Giantomassi 16b73ae366 Cleanup 2018-03-17 23:52:56 +01:00
Matteo Giantomassi 0ee065077a Use github-pages 2018-03-16 11:27:22 +01:00
gmatteo c7ab43bad6
[WIP] Add support for new ncfiles (#148) 
* Fix indentation

* Refactoring eph methods

* Add hue option

* Support more EPH metadata

* Improve plot methods

* EPH.nc --> A2F.nc

* Preparing migration to new A2f format

* Finalize integration with new format

* Activating new format

* Use new link for variables

* Fix invalid escape sequence

* Better Ksampling.__str__

* Use temporary API for vardocs

* Alias for plot

* Move to pmgv2018.3.14

* Fix typo
 2018-03-16 11:07:18 +01:00
gonze 477471ab1a Typo 2018-03-15 19:23:24 +01:00
Matteo Giantomassi 4e2c07c24a Code cleanup 2018-01-11 19:11:43 +01:00
Matteo Giantomassi ebb76bb807 Add badges for docs 2018-01-08 23:15:08 +01:00
Matteo Giantomassi 8bf50c22f2 Use latest conda, add sphinx-youtube and my_style.css 2018-01-08 16:52:42 +01:00
Matteo Giantomassi b3ee07b931 Cleanup 2018-01-06 19:02:42 +01:00
Matteo Giantomassi 83d3c0e401 Add abiview options to change mpl backend, fix mati3inv tests 2018-01-03 13:31:40 +01:00
Matteo Giantomassi 48204df80b Fix typos 2018-01-03 02:24:44 +01:00
Matteo Giantomassi a8c11385b1 Docs 2018-01-03 02:06:51 +01:00
Matteo Giantomassi a6831795ea Massive improvement of docs 2017-12-23 14:47:33 +01:00
Matteo Giantomassi d069348ec5 Move lessons to abitutorials 2017-12-02 23:02:14 +01:00
Matteo Giantomassi a597ff05af Add script to generate input files 2017-06-02 11:24:41 +02:00
Matteo Giantomassi e651060103 Add plot_line_neighbors for wavefunctions 2017-04-27 20:30:08 +02:00
Matteo Giantomassi 99dd5b9f88 Improve coverage 2017-04-02 10:50:15 +02:00
Matteo Giantomassi 80703c9548 Finalize docs for 0.2 2017-03-27 21:56:47 +02:00
Matteo Giantomassi a9b60924b9 Preparing release 2017-03-24 21:43:06 +01:00
Matteo Giantomassi 2a827641a4 cleanup 2017-03-21 23:01:29 +01:00
Matteo Giantomassi 7c68f0ecb9 Reactivate coveralls 2017-03-21 20:16:04 +01:00
Matteo Giantomassi a8d1ea2849 Try to make netcdf4 work with travis and py3k 2017-03-11 16:55:58 +01:00
Matteo Giantomassi 9fcfce82e7 Avoid conda update 2017-03-11 16:35:48 +01:00
Matteo Giantomassi 8c1f069379 Exclude abipy/gw from tests if nose 2017-03-11 13:51:07 +01:00
Matteo Giantomassi 792453eb0c Add matplotlib and seaborn to install_requires (pymatgen already requires matplotlib) 2017-03-11 00:15:22 +01:00
Matteo Giantomassi 61e5d0b891 docs 2017-03-10 14:42:43 +01:00
Matteo Giantomassi 8074083f5c Still working on docs 2017-03-09 22:13:08 +01:00
Matteo Giantomassi fefad889fb Docs Refactoring 2017-03-09 00:17:04 +01:00
Matteo Giantomassi 098bd78a26 Still working on docs 2017-03-08 16:10:26 +01:00
Matteo Giantomassi a9345aba1c Add tests for abirun 2017-03-07 13:57:34 +01:00
Matteo Giantomassi 871146002f Improve docs 2017-03-06 20:08:55 +01:00
Matteo Giantomassi 3383d9a8ad Improve documentation 2017-03-04 15:55:57 +01:00
Matteo Giantomassi 5ccb83939f sigres.plot_qps_vs_e0 2017-02-27 17:52:24 +01:00
Matteo Giantomassi 3af4cfa21f Fix anaconda_howto link 2016-08-15 19:27:59 +02:00
Matteo Giantomassi 04a3ef6033 Make oncvgui work after changes in pymatgen periodic table 2016-03-10 23:08:13 +01:00
Matteo Giantomassi 2bd1f2942c Get rid of numpy.savetxt 2016-02-16 12:05:18 +01:00
Matteo Giantomassi f776cfde00 anaconda howto 2016-02-13 17:35:19 +01:00
Matteo Giantomassi f486938166 Code cleanup 2016-02-10 16:00:23 +01:00
gmatteo e77da1aac2 Add pigments to requirements 2015-04-13 12:34:08 +02:00
gmatteo 21c9db3826 Notebooks and man files 2015-04-13 00:02:20 +02:00
gmatteo b1ac88865f Cleanup 2015-04-12 16:39:58 +02:00
gmatteo a6de2f38bb Doc cleanup 2015-04-12 12:58:19 +02:00