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 |
45387be | Uthpala Herath | 04 March 2020, 23:38:42 UTC | removed bandscompare | 04 March 2020, 23:38:42 UTC |
279b738 | Uthpala Herath | 04 March 2020, 16:50:07 UTC | Reordered changelog | 04 March 2020, 16:50:07 UTC |
0476f33 | Uthpala Herath | 04 March 2020, 16:46:58 UTC | Reordered changelog | 04 March 2020, 16:46:58 UTC |
f9b82cb | Uthpala Herath | 04 March 2020, 16:45:15 UTC | Reordered changelog | 04 March 2020, 16:45:15 UTC |
4e042c4 | Uthpala Herath | 04 March 2020, 06:54:55 UTC | Added examples for Elk in /examples | 04 March 2020, 06:54:55 UTC |
4cc5384 | Uthpala Herath | 04 March 2020, 06:49:45 UTC | Added badges | 04 March 2020, 06:49:45 UTC |
f1bf90c | Uthpala Herath | 04 March 2020, 06:33:30 UTC | Elk implementation | 04 March 2020, 06:33:30 UTC |
4c55a19 | Pedram Tavadze | 03 March 2020, 19:30:38 UTC | Merge pull request #26 from romerogroup/elk-implementation added elk parser, and modified setup.py | 03 March 2020, 19:30:38 UTC |
b4987e7 | Pedram Tavazohi | 03 March 2020, 19:26:03 UTC | added elk parser, and modified setup.py | 03 March 2020, 19:26:03 UTC |
9bf5995 | Uthpala Herath | 02 March 2020, 16:32:02 UTC | Updated orbital header array | 02 March 2020, 16:32:02 UTC |
308d2cc | Uthpala Herath | 01 March 2020, 23:11:17 UTC | Updated docs | 01 March 2020, 23:11:17 UTC |
be5c4c6 | Uthpala Herath | 01 March 2020, 22:55:07 UTC | Update docs | 01 March 2020, 22:55:07 UTC |
71e3362 | Uthpala Herath | 01 March 2020, 22:33:26 UTC | Discontinuous k-path band structure | 01 March 2020, 22:33:26 UTC |
db33ad0 | Uthpala Herath | 28 February 2020, 21:15:05 UTC | Bug fixes and stuff | 28 February 2020, 21:15:05 UTC |
6786eed | Uthpala Herath | 28 February 2020, 19:41:43 UTC | Changed standard orbitals to reflect newer version of vasp | 28 February 2020, 19:41:43 UTC |
636f4d0 | Uthpala Herath | 28 February 2020, 19:09:40 UTC | rename direct to kdirect | 28 February 2020, 19:09:40 UTC |
9904764 | Uthpala Herath | 28 February 2020, 18:33:57 UTC | Added option to convert k-points between reduced and cartesian when OUTCAR is supplied. | 28 February 2020, 18:33:57 UTC |
205b2c2 | Uthpala Herath | 28 February 2020, 03:48:18 UTC | Renormalize alpha values in band unfolder for values > 1 | 28 February 2020, 03:48:18 UTC |
8880b3c | Uthpala Herath | 28 February 2020, 03:43:44 UTC | Renormalize alpha values in band unfolder for values > 1 | 28 February 2020, 03:43:44 UTC |
9146ad0 | Uthpala Herath | 27 February 2020, 22:43:43 UTC | Added tests | 27 February 2020, 22:43:43 UTC |
a35f5e2 | Uthpala Herath | 27 February 2020, 22:38:04 UTC | Added Travis | 27 February 2020, 22:38:04 UTC |
4bbf1ec | Uthpala Herath | 25 February 2020, 15:56:47 UTC | Updated documentation | 25 February 2020, 15:56:47 UTC |
6705d46 | Uthpala Herath | 25 February 2020, 15:55:01 UTC | Updated documentation | 25 February 2020, 15:55:01 UTC |
e5149c5 | Uthpala Herath | 24 February 2020, 16:59:40 UTC | Fixed band unfolding bug | 24 February 2020, 16:59:40 UTC |
d45d056 | Uthpala Herath | 24 February 2020, 16:55:57 UTC | Merge pull request #25 from mailhexu/unfolding small adjust to avoid alpha>1 due to numerical noise when plotting unfolded bands | 24 February 2020, 16:55:57 UTC |
23947c7 | Uthpala Herath | 18 February 2020, 05:56:03 UTC | Updated docs | 18 February 2020, 05:56:03 UTC |
08b6437 | hexu | 13 February 2020, 14:59:59 UTC | small adjust to avoid alpha>1 due to numerical noise | 13 February 2020, 14:59:59 UTC |
9a49946 | Uthpala Herath | 12 February 2020, 19:25:25 UTC | Updated docs | 12 February 2020, 19:25:25 UTC |
c5936a3 | Uthpala Herath | 12 February 2020, 19:21:51 UTC | Added colormaps to bandscompare | 12 February 2020, 19:21:51 UTC |
e01b571 | Uthpala Herath | 10 January 2020, 20:58:33 UTC | Updated documentation | 10 January 2020, 20:58:33 UTC |
7bf2598 | Uthpala Herath | 10 January 2020, 20:50:39 UTC | Added feature to save plots as matplotlib.pyplot objects | 10 January 2020, 20:50:39 UTC |
d409ad2 | Uthpala Herath | 06 January 2020, 22:30:08 UTC | Better latex rendering | 06 January 2020, 22:30:08 UTC |
7a50e57 | Uthpala Herath | 06 January 2020, 22:19:29 UTC | Latex support update | 06 January 2020, 22:19:29 UTC |
71198d3 | Uthpala Herath | 06 January 2020, 21:21:47 UTC | Merged commits from Nicholas | 06 January 2020, 21:21:47 UTC |
39b6abc | Uthpala Herath | 06 January 2020, 21:10:04 UTC | Merged commits from Nicholas | 06 January 2020, 21:10:04 UTC |
c6e1411 | Uthpala Herath | 06 January 2020, 20:52:59 UTC | Merge pull request #21 from Npikeulg/master Small change to scriptKpath.py | 06 January 2020, 20:52:59 UTC |
f73b194 | Uthpala Herath | 06 January 2020, 20:48:37 UTC | standalone command-line compatibility | 06 January 2020, 20:48:37 UTC |
f4fc65d | Uthpala Herath | 20 December 2019, 16:52:51 UTC | Updated citation information | 20 December 2019, 16:52:51 UTC |
bc598b4 | Uthpala Herath | 18 November 2019, 22:45:50 UTC | Updated documentation | 18 November 2019, 22:45:50 UTC |
74566d9 | Uthpala Herath | 18 November 2019, 22:43:26 UTC | Updated documentation | 18 November 2019, 22:43:26 UTC |
4cca665 | Uthpala Herath | 18 November 2019, 01:59:05 UTC | Added k-points filter. | 18 November 2019, 01:59:05 UTC |
09500b7 | Uthpala Herath | 07 November 2019, 04:54:33 UTC | R 4.0.0 | 07 November 2019, 04:54:33 UTC |
8145576 | uthpalah | 04 October 2019, 21:21:45 UTC | Fixed bug in 2D Kmesh generator | 04 October 2019, 21:21:45 UTC |
75c834e | Nicholas Pike | 23 September 2019, 12:23:50 UTC | Added plt.close() to close memory leak when looping over figures | 23 September 2019, 12:23:50 UTC |
6094585 | Nicholas Pike | 23 September 2019, 12:17:55 UTC | Added statements to modify GAMMA from seekpath to Gamma for latex rendering | 23 September 2019, 12:17:55 UTC |
ceba685 | Nicholas Pike | 23 September 2019, 12:04:15 UTC | Modified line being read in the POSCAR file | 23 September 2019, 12:04:15 UTC |
47d3873 | uthpalah | 15 September 2019, 18:13:11 UTC | Updated readme | 15 September 2019, 18:13:11 UTC |
344d0dc | uthpalah | 15 September 2019, 18:10:41 UTC | Fixed unfold spin polarized eigenvalue bug and spin up/down band energy error in unfolding | 15 September 2019, 18:10:41 UTC |
5f15144 | Uthpala Herath | 15 September 2019, 18:06:22 UTC | Merge pull request #20 from mailhexu/unfolding Fix uncomplete spin polarized unfolding. | 15 September 2019, 18:06:22 UTC |
85e5142 | hexu | 15 September 2019, 13:08:05 UTC | fix spin up/down band energy error in unfolding | 15 September 2019, 13:08:05 UTC |
71064b7 | hexu | 15 September 2019, 07:55:30 UTC | fix unfold spin polarized eigenvalue bug | 15 September 2019, 07:55:30 UTC |
249cb51 | uthpalah | 12 September 2019, 14:14:13 UTC | Updated documentation to include spin polarized band unfolding | 12 September 2019, 14:14:13 UTC |
26b29a4 | uthpalah | 12 September 2019, 14:04:11 UTC | Fixed spin polarized band unfolding. | 12 September 2019, 14:04:11 UTC |
7c30c76 | Uthpala Herath | 12 September 2019, 13:58:30 UTC | Merge pull request #19 from mailhexu/unfolding spin option for unfolding | 12 September 2019, 13:58:30 UTC |
170cd3b | hexu | 12 September 2019, 11:19:50 UTC | add ispin option to unfolding documentation | 12 September 2019, 11:19:50 UTC |
2cbcc50 | hexu | 12 September 2019, 11:17:17 UTC | small fix | 12 September 2019, 11:17:17 UTC |
cec5aec | hexu | 12 September 2019, 11:08:08 UTC | debug ispin option in unfolding | 12 September 2019, 11:08:08 UTC |
efb7e7c | hexu | 12 September 2019, 10:20:11 UTC | adapt ispin option so it is consitent with the rest of the code | 12 September 2019, 10:20:11 UTC |
7a67643 | hexu | 12 September 2019, 09:51:47 UTC | add ispin option to unfolding of spin polarized band structure | 12 September 2019, 09:51:47 UTC |
d8b1eca | uthpalah | 09 September 2019, 20:28:24 UTC | Added bbox_inches='tight' for savefig | 09 September 2019, 20:28:24 UTC |
c249732 | uthpalah | 09 September 2019, 16:08:27 UTC | Updated .gitignore to exclude build directory from now on | 09 September 2019, 16:08:27 UTC |
5d9f94e | uthpalah | 09 September 2019, 16:07:16 UTC | Removed old build directory | 09 September 2019, 16:07:16 UTC |
c7d5c04 | Uthpala Herath | 09 September 2019, 16:02:45 UTC | Delete __init__.py | 09 September 2019, 16:02:45 UTC |
4788bc1 | uthpalah | 24 July 2019, 20:31:12 UTC | Fixed spin ambiguity | 24 July 2019, 20:31:12 UTC |
2a71348 | uthpalah | 21 July 2019, 19:14:23 UTC | Bug fixes in k-mesh generator | 21 July 2019, 19:14:23 UTC |
9ca20df | uthpalah | 28 June 2019, 00:58:46 UTC | Updated citation information | 28 June 2019, 00:58:46 UTC |