https://github.com/romerogroup/pyprocar

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