https://github.com/romerogroup/pyprocar

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Revision Author Date Message Commit Date
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
259bf12 gzip and phase parsing fix 2 04 June 2019, 20:53:30 UTC
d60dbf0 gzip and phase parsing fix 04 June 2019, 20:51:56 UTC
64247e8 gzip and phase parsing fix 04 June 2019, 20:49:45 UTC
5789a64 Pyprocar. fermisurface 04 June 2019, 12:27:02 UTC
ffb9204 Bug fixes 04 June 2019, 12:09:24 UTC
5d6c847 Bug fixes for Fermi surface 03 June 2019, 19:42:39 UTC
690aa80 Added Fermi3D 03 June 2019, 19:38:35 UTC
20e45bc added fermi3D 03 June 2019, 18:19:10 UTC
4b6a582 New stuff 03 June 2019, 17:51:28 UTC
70b53b0 Update contributors 03 June 2019, 17:48:45 UTC
232c939 Updated contributor addresses 03 June 2019, 16:08:24 UTC
b4a2cf8 Updated README.md 03 June 2019, 08:22:05 UTC
df87b5d Created Documentation 03 June 2019, 08:18:34 UTC
c35921d Set theme jekyll-theme-slate 23 May 2019, 17:09:20 UTC
db8e777 updated docs 22 May 2019, 22:56:59 UTC
cfd400b Automatic high symmetry points from KPOINTS 22 May 2019, 22:53:17 UTC
09618b9 updated documentation 21 May 2019, 23:27:08 UTC
db467c3 tight layout for plots 21 May 2019, 22:56:20 UTC
c406101 Fixed y ticks in plotting 21 May 2019, 22:47:17 UTC
204b9ba Fixed colorbar 21 May 2019, 22:03:00 UTC
6ebcac7 release 3.4 21 May 2019, 20:30:19 UTC
dc32b54 Updated plotting stuff and included meta-GGA plotting capability 21 May 2019, 20:24:53 UTC
65c0ba8 Merge pull request #13 from mailhexu/unfold add shift_efermi option and default to True so Ef is shifted to 0 09 May 2019, 23:24:02 UTC
8bd50d8 add shift_efermi option and default to True so Ef is shifted to 0 25 April 2019, 09:57:55 UTC
a5ee00c updated setup.py for type 19 March 2019, 23:59:31 UTC
0306ae8 PyProcar v 3.3 19 March 2019, 23:43:43 UTC
da407a4 Merge pull request #11 from romerogroup/complexparser complexparser 19 March 2019, 23:14:52 UTC
6765786 Merge pull request #8 from mailhexu/unfold Unfold 12 March 2019, 19:50:07 UTC
69b30b1 typo 20 February 2019, 15:39:58 UTC
829d98c clean 20 February 2019, 15:38:16 UTC
84ce3ae fix typo 20 February 2019, 15:29:00 UTC
8005abf update Manual 20 February 2019, 15:25:02 UTC
d1e504e add scriptUnfold.py and add supercell_matrix option to kpath 20 February 2019, 14:48:10 UTC
266c423 add ProcarUnfolder 20 February 2019, 14:20:14 UTC
35562c6 add unfold module 20 February 2019, 09:06:28 UTC
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