https://github.com/romerogroup/pyprocar

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