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