7b561e7 | lllangWV | 09 August 2022, 23:31:12 UTC | minor changes | 09 August 2022, 23:31:12 UTC |
b0cafe8 | lllangWV | 09 August 2022, 23:21:32 UTC | Reverting to 7cdbf46 commit | 09 August 2022, 23:21:32 UTC |
75140f8 | Pedram Tavadze | 03 August 2022, 16:32:04 UTC | Merge branch 'master' of https://github.com/romerogroup/pyprocar | 03 August 2022, 16:32:04 UTC |
bc7cd52 | Pedram Tavadze | 03 August 2022, 16:31:21 UTC | middle of documentation | 03 August 2022, 16:31:21 UTC |
7cdbf46 | lllangWV | 26 July 2022, 16:54:39 UTC | Switched v1 __init__ to relative imports instead of absolute imports | 26 July 2022, 16:54:39 UTC |
d36e65f | Pedram Tavadze | 14 June 2022, 14:13:48 UTC | added band reorder function and commented it | 14 June 2022, 14:13:48 UTC |
a1b2cf1 | lllangWV | 08 June 2022, 20:09:39 UTC | Added symmertry use for both quantum espresso and vasp for the fermi surface | 08 June 2022, 20:09:39 UTC |
5a5fa80 | lllangWV | 03 June 2022, 19:19:05 UTC | Added gdown to install_requires in setup.py | 03 June 2022, 19:19:05 UTC |
074c19d | lllangWV | 03 June 2022, 19:02:18 UTC | Experimental: PropertyCalculator. Will be used to calculate derivate and integral properties of bands. | 03 June 2022, 19:02:18 UTC |
0e2ecee | Pedram Tavadze | 01 June 2022, 14:02:09 UTC | ebs, kpath, defaults 1. added __str__ to kpath 2. removed reorder and interpolate from ebs 3. removed e from edos | 01 June 2022, 14:02:09 UTC |
100a669 | Pedram Tavadze | 01 June 2022, 13:58:07 UTC | Update .gitignore | 01 June 2022, 13:58:07 UTC |
ad2e421 | Pedram Tavadze | 01 June 2022, 13:56:23 UTC | Create scriptUnfold.py | 01 June 2022, 13:56:23 UTC |
fc7cab9 | Pedram Tavadze | 01 June 2022, 13:56:19 UTC | Update .gitignore | 01 June 2022, 13:56:19 UTC |
6d5450d | Pedram Tavadze | 01 June 2022, 12:34:48 UTC | added download_examples, and fixed string compar | 01 June 2022, 12:34:48 UTC |
b706034 | Pedram Tavadze | 31 May 2022, 19:44:43 UTC | updated example download | 31 May 2022, 19:44:43 UTC |
92b618a | lllangWV | 20 May 2022, 03:27:28 UTC | New Fermi Surface implementation | 20 May 2022, 03:27:28 UTC |
443a574 | Pedram Tavadze | 17 May 2022, 16:05:43 UTC | added examples to .gitignore | 17 May 2022, 16:05:43 UTC |
5ee38f9 | Pedram Tavadze | 17 May 2022, 16:01:25 UTC | deleted examples | 17 May 2022, 16:01:25 UTC |
2c56ce0 | lllangWV | 15 May 2022, 20:53:13 UTC | Minor bug fixes | 15 May 2022, 20:53:13 UTC |
f62e0d7 | lllangWV | 15 May 2022, 18:24:41 UTC | removed old versions of files. If you still need to use an old version look in the v1 module which contains an old version of pyprocar | 15 May 2022, 18:24:41 UTC |
305b3d6 | lllangWV | 15 May 2022, 18:21:30 UTC | Made version 1 of pyprocar Mar 9, 2021 -commit 43d7cfc301a5ec446c35943188f29a4e0f3a518a | 15 May 2022, 18:21:30 UTC |
1aa984a | lllangWV | 15 May 2022, 18:10:29 UTC | Added typing and more doc strings to various files | 15 May 2022, 18:10:29 UTC |
5e830c6 | lllangWV | 15 May 2022, 15:53:52 UTC | Added type hinting to scriptdosplot | 15 May 2022, 15:53:52 UTC |
e0de952 | Pedram Tavadze | 15 May 2022, 15:34:23 UTC | added some typing in ebs/dos.py | 15 May 2022, 15:34:23 UTC |
df849c8 | lllangWV | 15 May 2022, 03:14:00 UTC | Updated FermiSurface Interface, its Object inheritance, and added type hinting | 15 May 2022, 03:14:00 UTC |
455023a | Pedram Tavadze | 14 May 2022, 04:39:58 UTC | updated todo for individuals | 14 May 2022, 04:39:58 UTC |
b0084ef | Pedram Tavadze | 14 May 2022, 03:36:40 UTC | added todo list for new pyprocar | 14 May 2022, 03:36:40 UTC |
c649b39 | lllangWV | 07 April 2022, 17:27:07 UTC | Updated docs for lobster calcs | 07 April 2022, 17:27:07 UTC |
f716924 | lllangWV | 07 April 2022, 17:06:08 UTC | Added new lobster parser for qe | 07 April 2022, 17:06:08 UTC |
1c7a9f6 | lllangWV | 13 March 2022, 05:55:38 UTC | Bug fixes | 13 March 2022, 05:55:38 UTC |
32f98e9 | lllangWV | 11 March 2022, 00:35:36 UTC | Organized parsers into io folder | 11 March 2022, 00:35:36 UTC |
49946ef | lllangWV | 10 March 2022, 23:44:55 UTC | put pyprocar scripts into scripts folder | 10 March 2022, 23:44:55 UTC |
e4ac465 | lllangWV | 09 March 2022, 21:14:26 UTC | dosplot and bandsdosplot changes | 09 March 2022, 21:14:26 UTC |
8d91dc9 | lllangWV | 05 March 2022, 16:41:35 UTC | qe updated documentation | 05 March 2022, 16:41:35 UTC |
e1944f2 | lllangWV | 05 March 2022, 15:28:14 UTC | qe update and bug fixes | 05 March 2022, 15:28:14 UTC |
1f734c3 | petavazohi | 14 January 2022, 14:38:59 UTC | unfold bug fixed (bug was in ebs_plot.py) | 14 January 2022, 14:38:59 UTC |
cacb8c6 | petavazohi | 12 January 2022, 13:57:02 UTC | temp debug unfold | 12 January 2022, 13:57:02 UTC |
fcd5ec2 | petavazohi | 12 January 2022, 03:52:47 UTC | temp commit for debugging unfolding | 12 January 2022, 03:52:47 UTC |
372e87b | Pedram Tavadze | 24 November 2021, 00:09:26 UTC | Merge pull request #56 from ybw2016v/master match "Reciprocal" in KPOINTS | 24 November 2021, 00:09:26 UTC |
9585107 | Pedram Tavadze | 20 October 2021, 21:52:47 UTC | Merge branch 'master' of https://github.com/romerogroup/pyprocar | 20 October 2021, 21:52:47 UTC |
5f96724 | Pedram Tavadze | 20 October 2021, 21:52:44 UTC | added default settings to utils added defaults sepaerated scriptsbandsplot and scriptunfold | 20 October 2021, 21:52:44 UTC |
ec8afb2 | lllangWV | 12 October 2021, 20:27:48 UTC | Changed kpoint shifting issue for fermi surface | 12 October 2021, 20:27:48 UTC |
e839bdf | dogcraft | 27 September 2021, 10:18:03 UTC | match "Reciprocal" | 27 September 2021, 10:18:03 UTC |
293bb6e | lllangWV | 14 September 2021, 18:07:08 UTC | Update __init__.py Uncommented bandgap for use | 14 September 2021, 18:07:08 UTC |
014500c | Pedram Tavadze | 10 September 2021, 16:16:40 UTC | update procarfile argument | 10 September 2021, 16:16:40 UTC |
df8b0df | Pedram Tavadze | 09 September 2021, 14:30:29 UTC | checkpoint for band reorder | 09 September 2021, 14:30:29 UTC |
a10799d | Pedram Tavadze | 08 September 2021, 00:13:08 UTC | added the case of if no kpoints file is provided | 08 September 2021, 00:13:08 UTC |
fd81947 | Logan L | 10 August 2021, 14:19:51 UTC | Added fermi velocity and effective mass projections for fermi surfaces | 10 August 2021, 14:19:51 UTC |
8e020e3 | Pedram Tavadze | 09 July 2021, 13:37:45 UTC | Update ebs.py | 09 July 2021, 13:37:45 UTC |
9b40008 | Pedram Tavadze | 06 July 2021, 16:21:35 UTC | modified band ordering | 06 July 2021, 16:21:35 UTC |
5c4debf | Pedram Tavadze | 28 June 2021, 03:22:45 UTC | temporary update on reordering | 28 June 2021, 03:22:45 UTC |
79493ba | Pedram Tavadze | 27 June 2021, 18:57:57 UTC | initiated band reordering | 27 June 2021, 18:57:57 UTC |
b19093a | Uthpala Herath | 24 June 2021, 08:23:01 UTC | Merge branch 'master' of https://github.com/romerogroup/pyprocar | 24 June 2021, 08:23:01 UTC |
5ea645d | Uthpala Herath | 24 June 2021, 08:22:37 UTC | Added rutgers-examples for Rutgers talk | 24 June 2021, 08:22:37 UTC |
7b1181a | petavazohi | 20 June 2021, 05:36:34 UTC | debug 1. removed import Surface from surface.py 2. removed import scriptbandsplot1 from __ini__ | 20 June 2021, 05:36:34 UTC |
edbcc40 | Pedram Tavadze | 14 June 2021, 22:07:48 UTC | created an option to use old implementation | 14 June 2021, 22:07:48 UTC |
22ab730 | Pedram Tavadze | 14 June 2021, 22:06:55 UTC | Merge branch 'development' | 14 June 2021, 22:06:55 UTC |
3ef9570 | Uthpala Herath | 11 June 2021, 03:31:22 UTC | Updated bandplot labels | 11 June 2021, 03:31:22 UTC |
0ab4d5c | Uthpala Herath | 11 June 2021, 01:59:18 UTC | Added workshop tutorials in examples directory | 11 June 2021, 01:59:18 UTC |
b383147 | lllangWV | 31 May 2021, 20:48:52 UTC | Update isosurface.py | 31 May 2021, 20:48:52 UTC |
dba08cd | Pedram Tavadze | 28 May 2021, 05:54:00 UTC | included projection or spd with unfolding the bands | 28 May 2021, 05:54:00 UTC |
a00bc77 | Pedram Tavadze | 26 May 2021, 23:15:15 UTC | minor change in ebs_plot legend | 26 May 2021, 23:15:15 UTC |
2e3e00b | Logan L | 24 May 2021, 04:18:29 UTC | Finds the cross section area of a slice for a single band | 24 May 2021, 04:18:29 UTC |
863ab1f | Logan L | 20 May 2021, 20:21:39 UTC | Added 2 widget sliders for the fermisurface curvature to help filter out extreme values | 20 May 2021, 20:21:39 UTC |
7dc4082 | Logan L | 20 May 2021, 15:41:21 UTC | Removed redundant parameters in fermi3D | 20 May 2021, 15:41:21 UTC |
39b17bf | Logan L | 20 May 2021, 15:37:07 UTC | FermiSurface, added slider widget to change iso surface with a slider | 20 May 2021, 15:37:07 UTC |
5705962 | Uthpala Herath | 06 May 2021, 20:49:52 UTC | Merge changes for Fermi surface plotter | 06 May 2021, 20:49:52 UTC |
b1514f9 | Logan L | 30 April 2021, 00:46:14 UTC | added saving in any meshio 3d format for fermi | 30 April 2021, 00:46:14 UTC |
457ed7d | Pedram Tavadze | 29 April 2021, 02:25:54 UTC | Update scriptBandsplot1.py added vmin, vmax | 29 April 2021, 02:25:54 UTC |
4936143 | Pedram Tavadze | 29 April 2021, 01:10:02 UTC | fixed the indentation in scriptfermi3d | 29 April 2021, 01:10:02 UTC |
8022f55 | Pedram Tavadze | 28 April 2021, 15:19:22 UTC | updated sciprtsBandsplot added parametric and scatter plot | 28 April 2021, 15:19:22 UTC |
b123b8c | lllangWV | 26 April 2021, 23:41:42 UTC | updated bxsf parser | 26 April 2021, 23:41:42 UTC |
e012535 | lllangWV | 26 April 2021, 23:40:41 UTC | Updated bxsf parser | 26 April 2021, 23:40:41 UTC |
4ea4e0e | Pedram Tavadze | 23 April 2021, 21:36:52 UTC | Update ebs_plot.py added docstrings | 23 April 2021, 21:36:52 UTC |
49b48f0 | Pedram Tavadze | 23 April 2021, 20:49:35 UTC | Update scriptBandsDosplot.py Added argument show to the bandsdosplot | 23 April 2021, 20:49:35 UTC |
941dc1c | Pedram Tavadze | 23 April 2021, 16:33:49 UTC | Update scriptBandsDosplot.py fixed dlimit in bandsdosplot | 23 April 2021, 16:33:49 UTC |
26a9381 | Uthpala Herath | 22 April 2021, 21:19:47 UTC | Added Abinit Fermi surface implementation to master branch | 22 April 2021, 21:19:47 UTC |
624d9a0 | Uthpala Herath | 22 April 2021, 16:05:27 UTC | Updated Abinit Fermi surface implementation in the master branch | 22 April 2021, 16:05:27 UTC |
bd34162 | Logan L | 20 April 2021, 15:39:16 UTC | Improved readibility and created FermiSurface3D and FermiSurfaceBand3D | 20 April 2021, 15:39:16 UTC |
55c370a | Uthpala Herath | 20 April 2021, 02:53:07 UTC | Fermi3d Abinit implementation | 20 April 2021, 02:53:07 UTC |
87365f6 | Uthpala Herath | 17 April 2021, 04:31:01 UTC | Merge branch 'development' of https://github.com/romerogroup/pyprocar into development | 17 April 2021, 04:31:01 UTC |
f47988d | Pedram Tavadze | 12 April 2021, 13:15:16 UTC | renamed the functions in plotter ebs | 12 April 2021, 13:15:16 UTC |
75fe43b | Pedram Tavadze | 05 April 2021, 18:43:07 UTC | added scatterplot and parameteric to ebs_plot | 05 April 2021, 18:43:07 UTC |
99ca9ef | Pedram Tavadze | 22 March 2021, 20:18:54 UTC | inprocess of EBSplot, pushing just for sync | 22 March 2021, 20:18:54 UTC |
f9df298 | Pedram Tavadze | 21 March 2021, 01:03:10 UTC | initiated new bandsplot | 21 March 2021, 01:03:10 UTC |
cb860a3 | Logan L | 10 March 2021, 03:15:51 UTC | Added fermi slice plane widget | 10 March 2021, 03:15:51 UTC |
43d7cfc | Logan L | 09 March 2021, 05:22:52 UTC | Reverting scriptFermi3D to a previous state | 09 March 2021, 05:22:52 UTC |
0854b27 | Logan L | 09 March 2021, 05:14:05 UTC | Fixed bug with aotm labeling in qe_dos_parser | 09 March 2021, 05:14:05 UTC |
ca4cc37 | Uthpala Herath | 09 March 2021, 04:56:49 UTC | updated abinit stuff | 09 March 2021, 04:56:49 UTC |
2bd77ea | Logan L | 09 March 2021, 04:05:54 UTC | Bug in qe_dos_parser structure recored species not ions, fixed this | 09 March 2021, 04:05:54 UTC |
e11a5e7 | Pedram Tavadze | 08 March 2021, 16:05:18 UTC | initiated ebs_plot | 08 March 2021, 16:05:18 UTC |
2ec95bc | fjfarah218 | 07 March 2021, 21:37:27 UTC | Merge branch 'development' of https://github.com/romerogroup/pyprocar into development | 07 March 2021, 21:37:27 UTC |
5ec1cdc | fjfarah218 | 07 March 2021, 21:36:56 UTC | Debugging attempts for fermi3d | 07 March 2021, 21:36:56 UTC |
94120cf | Uthpala Herath | 07 March 2021, 10:20:44 UTC | Added abinit.py and test-abinit.py to development branch | 07 March 2021, 10:20:44 UTC |
01d5a20 | Uthpala Herath | 07 March 2021, 10:19:03 UTC | Removed abinit.py from master branch to move to development branch. | 07 March 2021, 10:19:03 UTC |
9fa60cf | Pedram Tavadze | 06 March 2021, 07:09:09 UTC | implemented fft interpolation | 06 March 2021, 07:09:09 UTC |
51a360e | Uthpala Herath | 05 March 2021, 17:17:08 UTC | Fixed kdirect=False issue with elkparser | 05 March 2021, 17:17:08 UTC |
8e66e31 | fjfarah218 | 24 February 2021, 15:21:45 UTC | Merge branch 'development' of https://github.com/romerogroup/pyprocar into development | 24 February 2021, 15:21:45 UTC |
681453c | fjfarah218 | 24 February 2021, 15:21:41 UTC | Bug fixes Got rid of transformation matrix temporarily | 24 February 2021, 15:21:41 UTC |
230ee5d | Pedram Tavadze | 24 February 2021, 15:20:34 UTC | added fft interpolation to the utils athematcs | 24 February 2021, 15:20:34 UTC |