https://github.com/romerogroup/pyprocar

sort by:
Revision Author Date Message Commit Date
b0826f6 Updated lobsterparse.py 28 July 2020, 08:27:58 UTC
0a8e7d8 Fixed bugs in lobster and qe spin polarized calculations related to number of bands 28 July 2020, 06:30:02 UTC
3bff5ed Updated spin colinear calculations for Quantum Espresso and Lobster codes. #2 28 July 2020, 05:22:53 UTC
550606d Updated spin colinear calculations for Quantum Espresso and Lobster codes. 28 July 2020, 04:40:11 UTC
20b3385 Updated stand-alone script #2 27 July 2020, 03:08:23 UTC
791a28a Updated bandgap calculation script #2 27 July 2020, 02:58:31 UTC
e7604cd Updated bandgap calculation script 27 July 2020, 02:55:23 UTC
46c1cd8 Bug fixes in stand-alone mode. Renamed procar to procar.py for consistency. 27 July 2020, 01:41:42 UTC
a42909a Removed mayavi dependance 01 July 2020, 19:46:44 UTC
a1f6624 removed mayavi from the requirements in setup.py 30 June 2020, 15:09:45 UTC
553f591 Merge branch 'master' of https://github.com/romerogroup/pyprocar 23 June 2020, 04:22:25 UTC
b3a5ca0 added spin texture and fixed bugs in fermi3d 23 June 2020, 04:21:33 UTC
7f37531 Merge pull request #35 from jan-janssen/master Mybinder Example 22 June 2020, 21:04:19 UTC
99c2105 Create postBuild 21 June 2020, 20:59:28 UTC
be6a584 Rename pyprocar.ipynb.json to pyprocar.ipynb 21 June 2020, 20:39:28 UTC
a5e1041 Delete pyprocar.ipynb 21 June 2020, 20:39:12 UTC
08762d6 Add files via upload 21 June 2020, 20:38:53 UTC
eb5d7a2 Update environment.yml 21 June 2020, 20:28:24 UTC
21e253c Update environment.yml 21 June 2020, 20:02:32 UTC
d76b772 add binder example 21 June 2020, 18:49:01 UTC
7e3675b add binder 21 June 2020, 18:23:58 UTC
a0c31ca Added conda-forge badge 18 June 2020, 18:06:56 UTC
fd35fbd Fermi3D, Quantum Espresso, conda updates 17 June 2020, 21:16:14 UTC
4d44ddc Merge pull request #33 from jan-janssen/patch-1 Include license in pip package 17 June 2020, 18:23:37 UTC
84407ce Include license in pip package 17 June 2020, 06:23:06 UTC
a131845 1st debug of fermi3d changing __init__.py 16 June 2020, 08:35:04 UTC
9e678a1 Merge branch 'master' of https://github.com/romerogroup/pyprocar 16 June 2020, 08:24:31 UTC
bf68576 created a new modular fermi3d surface using pyvista and trimesh 16 June 2020, 08:24:01 UTC
75d9bbd Updated docs #2 06 June 2020, 03:08:44 UTC
0b5bfc4 Updated docs 06 June 2020, 03:04:14 UTC
c1298c0 Added 'show' argument in scriptBandsplot.py to hide plot when plotting multiple bands in a single figure 04 June 2020, 22:50:22 UTC
d13ffd6 Updated tests 02 June 2020, 04:08:24 UTC
fa71145 Added pychemia import to /pyprocar/__init__.py 02 June 2020, 04:04:32 UTC
d42658e Updated docs 30 May 2020, 09:36:50 UTC
64bc39d Fixed QE orbital number 28 May 2020, 06:12:01 UTC
c32b897 Updated verbose sections in scriptBandsplot and the DOS equivalents. Initialize discontinuities to None to avoid repopulating list when replot 28 May 2020, 04:15:11 UTC
83a27c2 Added bandsdos.html to docs 26 May 2020, 14:34:46 UTC
7c86e20 corrected a typo in sphinx 26 May 2020, 08:25:03 UTC
6b34c55 Added the tutorials for bands dos plots together. modified the scripts accordingly and added examples 26 May 2020, 07:32:49 UTC
217572a fixed bugs, removed marker and markersize 25 May 2020, 23:36:31 UTC
498e421 added the sphinx built documents to docs 25 May 2020, 22:53:38 UTC
aabd4cf modified dosplot.py according to the tutorial 25 May 2020, 22:49:23 UTC
7022a48 Merge branch 'master' of https://github.com/romerogroup/pyprocar 25 May 2020, 22:47:39 UTC
8a15dee 1.added DOS plot tutorials, modeified some parts of dosplot accordingly, change a small typo in bands.rst 25 May 2020, 22:42:02 UTC
4f8ed54 Updated QE orbital ordering 25 May 2020, 18:54:54 UTC
8bd5b8c Updated QE interface 25 May 2020, 08:28:19 UTC
ff35382 Initial testing for Quantum Espresso interface 25 May 2020, 07:35:33 UTC
5ad4483 Moved pychemia import to dosplot.py only when invoked 22 May 2020, 21:28:53 UTC
7153461 Moved pychemia import to dosplot.py only when invoked 22 May 2020, 21:10:23 UTC
8576f79 Added cython to requirements since pychemia depends on it. 22 May 2020, 20:53:33 UTC
3db589c New release: DOS plotting feature 22 May 2020, 17:31:47 UTC
2f07cf4 Added pychemia to requirements for plotting DOS 22 May 2020, 17:19:48 UTC
a0a2207 New release: DOS plotting feature 22 May 2020, 17:12:54 UTC
7be2aab Merge branch 'master' of https://github.com/romerogroup/pyprocar 21 May 2020, 15:49:44 UTC
ff6bfbd Added DOS plots and bandsdos plot 21 May 2020, 15:46:03 UTC
498e208 Updated docs 17 May 2020, 21:44:37 UTC
de464dd fixed the bugs caused by the previous push, ElkPaser.bandsCount changed to ElkParser.nbands 12 May 2020, 01:20:18 UTC
76e9528 Merge branch 'master' of https://github.com/romerogroup/pyprocar 11 May 2020, 22:33:20 UTC
cabef16 Nothig change in the logic and pseudo code, the structure was made more pythonic 11 May 2020, 22:32:28 UTC
a78ee99 Updated README 11 May 2020, 04:29:02 UTC
ebd258e Bug fixes in pyprocar.cat() and better comparison method 11 May 2020, 04:25:48 UTC
3bfb92e chaged comparisions from is to ==, as is compares the id of the object 10 May 2020, 23:54:04 UTC
9c998d3 added the mode color_full with default colors, and changed the background of mayavi figures to white 28 April 2020, 00:45:44 UTC
896b3d7 updated docs 23 April 2020, 22:23:51 UTC
e60d0da Added SrVO3_sp_elk to examples 22 April 2020, 04:36:38 UTC
fa4968d Removed version requirement in mayavi 21 April 2020, 17:07:23 UTC
9df1289 Elk spin colinear calculations and plotting spin up and spin down plots without needing to filter 21 April 2020, 14:22:20 UTC
a2960aa Updated docs 21 April 2020, 00:01:24 UTC
34eb799 Updated documentation for Mayavi requirements 20 April 2020, 21:19:55 UTC
8dbc82b Update docs 14 April 2020, 21:21:18 UTC
078a6ed Update docs 14 April 2020, 21:16:54 UTC
892697b Added feature to filter spin up and spin down bands in colinear spin calculations 14 April 2020, 20:41:07 UTC
fcfcfce ordered imports in setup.py 31 March 2020, 05:02:32 UTC
9f88f81 Updated docs 27 March 2020, 22:04:38 UTC
21fdaff Fix iband reading error due to vasp incorrectly writting iband>999 27 March 2020, 21:52:59 UTC
9229ad8 Fix iband reading error due to vasp incorrectly writting iband>999 27 March 2020, 21:52:04 UTC
cccf882 Merge pull request #29 from mailhexu/unfolding quickfix to issue #28 27 March 2020, 08:05:03 UTC
edfca55 Fix iband reading error due to vasp incorrectly writting iband>999 (issue 28) 27 March 2020, 07:50:23 UTC
0918d35 Minor updates 13 March 2020, 06:53:13 UTC
f67e46b Updated k-path defaults 13 March 2020, 05:35:12 UTC
fdb6a8a Updated welcome image 11 March 2020, 21:19:59 UTC
aad9e2c Minor bug fixes 11 March 2020, 17:46:48 UTC
cbb5b80 Fixed summation issues in ElkParser 08 March 2020, 07:20:40 UTC
a753094 Added Abinit Parser class 08 March 2020, 00:06:00 UTC
a3a5e77 Fixed Abinit PROCAR formatting issues in PyProcar cat function. 05 March 2020, 22:52:53 UTC
889ee13 Fixed Abinit PROCAR formatting issues in PyProcar cat function. 05 March 2020, 22:43:35 UTC
2a2ba64 Updated docs 05 March 2020, 18:50:16 UTC
7e5fce6 Updated docs 05 March 2020, 18:47:41 UTC
9b989ad Updated documentation 05 March 2020, 18:29:06 UTC
69e62e2 Removed coveralls 05 March 2020, 06:30:21 UTC
694baef Added tests 05 March 2020, 05:57:10 UTC
2133c45 Added tests 05 March 2020, 05:48:42 UTC
c366296 Added tests 05 March 2020, 05:45:24 UTC
4a397c0 Updated tests 05 March 2020, 05:41:40 UTC
8fd1928 Added tests 05 March 2020, 05:36:39 UTC
21052e5 Formatted codes with Black 05 March 2020, 04:17:51 UTC
d78add6 Removed pytest 05 March 2020, 01:35:50 UTC
2d588c0 Coveralls 05 March 2020, 01:32:17 UTC
90fd315 Added coveralls 05 March 2020, 01:26:28 UTC
0daf9e9 removed bandscompare 04 March 2020, 23:40:03 UTC
back to top