https://github.com/romerogroup/pyprocar

sort by:
Revision Author Date Message Commit Date
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
65eaa96 Added citing info 28 June 2019, 00:42:48 UTC
30ad51f bug fixes in band unfolding 26 June 2019, 20:20:19 UTC
7799ea6 Merge pull request #16 from mailhexu/fix Fix original band fermi energy not not shifted to 0 22 June 2019, 06:16:29 UTC
abf3d31 Merge pull request #14 from romerogroup/setup_patch update install_requires 22 June 2019, 06:16:15 UTC
7a88a07 update sphinx doc for unfolding 19 June 2019, 18:42:29 UTC
43a4d6d fix original band not shifted bug for unfolding plot add option to tune width and color of unfolding add option to write unfolding result to file 19 June 2019, 18:38:09 UTC
572aedb Cleaned repo 13 June 2019, 22:44:57 UTC
66a6037 Fermi surface bug fixes 13 June 2019, 20:03:31 UTC
19991b1 cleaned the previous version 13 June 2019, 19:44:57 UTC
707a806 fixed bugs in scriptfFermi3D.py, bug was in symmetrizing the spin texture data in gamma centered mesh. changed the linewidth in parametric plots 13 June 2019, 19:40:08 UTC
fb57d07 Update setup.py 13 June 2019, 13:37:53 UTC
87e393d update install_requires I don't know which version is needed. Perhaps any will be fine since we only use a few basic functionalities? 13 June 2019, 13:03:41 UTC
cdc0f9e Parse old PROCAR format capability 12 June 2019, 02:56:57 UTC
363a4b2 Phase parsing update 05 June 2019, 20:22:10 UTC
a53b323 Updated docs 05 June 2019, 16:36:02 UTC
back to top