5a01c23 | lllangWV | 01 April 2023, 16:25:08 UTC | Fermi surface refactor | 01 April 2023, 16:25:08 UTC |
443c2d1 | lllangWV | 27 March 2023, 19:38:33 UTC | bug fix | 27 March 2023, 19:38:33 UTC |
2ed0561 | lllangWV | 26 March 2023, 20:24:58 UTC | Updated ebs be able to return scalar gradients of the kpoints grid | 26 March 2023, 20:24:58 UTC |
58a7711 | lllangWV | 18 March 2023, 19:24:05 UTC | Created Parser class. all other parsers will go through this to extract ebs,dos,structure,kpath | 18 March 2023, 19:24:05 UTC |
4287f13 | lllangWV | 17 March 2023, 19:32:12 UTC | Updated abinit parser | 17 March 2023, 19:32:12 UTC |
fcc61fa | lllangWV | 17 March 2023, 15:40:14 UTC | Added pytest foundations | 17 March 2023, 15:40:14 UTC |
3d2e71d | lllangWV | 17 March 2023, 14:30:00 UTC | Added method to download development data. This is used for generating docs and testing | 17 March 2023, 14:30:00 UTC |
58772ba | lllangWV | 17 March 2023, 03:28:52 UTC | Changed examples to have the same directory pathing as downloaded data | 17 March 2023, 03:28:52 UTC |
ee772e5 | lllangWV | 17 March 2023, 00:30:08 UTC | Moved download_examples and and welcome function to utils | 17 March 2023, 00:30:08 UTC |
57aafed | lllangWV | 16 March 2023, 23:40:01 UTC | Updated download_example and tested. | 16 March 2023, 23:40:01 UTC |
d689eef | lllangWV | 16 March 2023, 19:47:49 UTC | Updated .gitignore and removed .vscode | 16 March 2023, 19:47:49 UTC |
1ce211a | lllangWV | 06 March 2023, 21:09:42 UTC | Added compare_bands example and fixed an issue in the qeparser | 06 March 2023, 21:09:42 UTC |
a782b59 | lllangWV | 06 March 2023, 15:05:14 UTC | Doc updates | 06 March 2023, 15:05:14 UTC |
422caf5 | lllangWV | 15 February 2023, 16:26:37 UTC | Added option to specify band colors in fermi 2d | 15 February 2023, 16:26:37 UTC |
2b2d5da | lllangWV | 15 February 2023, 15:05:38 UTC | Added band selection in fermi2d | 15 February 2023, 15:05:38 UTC |
a57f14c | lllangWV | 14 February 2023, 16:21:14 UTC | More doc updates | 14 February 2023, 16:21:14 UTC |
d09858c | lllangWV | 13 February 2023, 01:07:14 UTC | Added orbital projection to fermi 2d. Also added fermi2d examples | 13 February 2023, 01:07:14 UTC |
a1a390d | lllangWV | 09 February 2023, 16:02:19 UTC | Bug fix in Fermi3D | 09 February 2023, 16:02:19 UTC |
425262f | lllangWV | 09 February 2023, 12:47:24 UTC | More doc updates. Changes in IO API and add docstrings to parsers | 09 February 2023, 12:47:24 UTC |
97a82b3 | lllangWV | 06 February 2023, 19:18:27 UTC | More doc updates. A updated api. Added complete doc to core modules. | 06 February 2023, 19:18:27 UTC |
42d04d8 | lllangWV | 05 February 2023, 19:03:21 UTC | More doc changes | 05 February 2023, 19:03:21 UTC |
d117152 | lllangWV | 31 January 2023, 14:16:35 UTC | Added new sphinx _build/html to docs | 31 January 2023, 14:16:35 UTC |
876f4bf | lllangWV | 26 January 2023, 12:52:25 UTC | Started Siesta Parser | 26 January 2023, 12:52:25 UTC |
2c112e3 | lllangWV | 23 January 2023, 14:48:22 UTC | More doc updates | 23 January 2023, 14:48:22 UTC |
bf7cc27 | lllangWV | 13 January 2023, 17:07:24 UTC | Added option to download specific example | 13 January 2023, 17:07:24 UTC |
36f1aa3 | lllangWV | 10 January 2023, 22:48:36 UTC | Added requirements_docs.txt | 10 January 2023, 22:48:36 UTC |
b86ef8e | lllangWV | 10 January 2023, 18:11:07 UTC | Initial dev push | 10 January 2023, 18:11:07 UTC |
850573c | lllangWV | 26 August 2022, 20:00:09 UTC | Update scriptFermi3D.py kpoints ebs.kpoints was assigned to bands keywords in the initialization of FermiSurface3D | 26 August 2022, 20:00:09 UTC |
f867f5e | lllangWV | 26 August 2022, 18:21:56 UTC | Update scriptBandsplot.py changed positional arguments to keywords for Procar parsing | 26 August 2022, 18:21:56 UTC |
203953a | lllangWV | 23 August 2022, 15:49:39 UTC | Update scriptDosplot.py dos_interpolation_factor when initializing VASPXML was set to None, changed interpolation_factor | 23 August 2022, 15:49:39 UTC |
932eedb | lllangWV | 10 August 2022, 18:22:28 UTC | Bug fixes in docs | 10 August 2022, 18:22:28 UTC |
b4ea144 | lllangWV | 10 August 2022, 18:18:28 UTC | Re-adding sphinx files | 10 August 2022, 18:18:28 UTC |
1e30f2d | lllangWV | 10 August 2022, 16:55:02 UTC | Bug fixes | 10 August 2022, 16:55:02 UTC |
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 |