https://github.com/romerogroup/pyprocar

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Revision Author Date Message Commit Date
7811c23 Updated readme for version 6.0.0 10 June 2023, 16:57:30 UTC
da0365b doc update. 10 June 2023, 16:48:41 UTC
248e545 Update README.md Updated currently supporting codes 25 May 2023, 20:25:11 UTC
c10d3ac doc update and non-colinear update 25 May 2023, 20:05:38 UTC
9bd2685 Update to vasp non-collinear parsing 23 May 2023, 19:41:30 UTC
e1dc787 FermiSurface3D update 23 May 2023, 18:09:52 UTC
a1e061e Updated parser.py 23 May 2023, 14:19:56 UTC
8ffabe9 fermi3d changes 16 May 2023, 14:24:14 UTC
c14d12c added docs 08 May 2023, 19:15:42 UTC
e6ba7a5 removed docs and add to main index.rst 08 May 2023, 19:14:43 UTC
9164eaf doc update 08 May 2023, 19:02:44 UTC
53bd29c doc updates 08 May 2023, 18:54:29 UTC
d8e125a Adding docs 08 May 2023, 14:34:47 UTC
69b616e removing docs 08 May 2023, 14:34:07 UTC
cb9a5ff doc updates 08 May 2023, 14:21:59 UTC
8a5fd3d doc updates 08 May 2023, 14:19:08 UTC
804782f doc updates 08 May 2023, 14:17:19 UTC
81cde72 Merge pull request #103 from romerogroup/dev Dev 08 May 2023, 12:21:28 UTC
f6f4031 rebase bug fix 08 May 2023, 12:19:07 UTC
2224d03 doc updates 08 May 2023, 12:13:34 UTC
c2ff86d Merge pull request #102 from romerogroup/dev Dev 08 May 2023, 11:56:46 UTC
1872d7c Updated docs and bug fixes 08 May 2023, 11:53:29 UTC
6fddcfb Merge pull request #100 from romerogroup/main Updated docs and bug fix with fermi zeroing 01 May 2023, 01:54:06 UTC
2a30c8c Updated docs and bug fix with fermi zeroing 01 May 2023, 01:49:36 UTC
f3a4373 Merge pull request #99 from romerogroup/main Making sure main and dev are up to the same commit 30 April 2023, 20:41:16 UTC
22ea719 Updated gitignore 30 April 2023, 20:27:02 UTC
5dc5ade Removed reports directory 30 April 2023, 20:26:12 UTC
9a00128 updated gitignore 30 April 2023, 20:23:14 UTC
21acb31 qe parser bug fix 30 April 2023, 20:20:23 UTC
e05dc84 Merge pull request #98 from romerogroup/dev added elk.py and code-workspace to gitignore 30 April 2023, 17:30:55 UTC
00b0348 added elk.py and code-workspace to gitignore 30 April 2023, 17:29:45 UTC
45bce62 Refactored abinit parser and updated kpath module 26 April 2023, 07:22:28 UTC
d821010 Added core unit tests 02 April 2023, 03:39:25 UTC
443c2d1 bug fix 27 March 2023, 19:38:33 UTC
2ed0561 Updated ebs be able to return scalar gradients of the kpoints grid 26 March 2023, 20:24:58 UTC
58a7711 Created Parser class. all other parsers will go through this to extract ebs,dos,structure,kpath 18 March 2023, 19:24:05 UTC
4287f13 Updated abinit parser 17 March 2023, 19:32:12 UTC
fcc61fa Added pytest foundations 17 March 2023, 15:40:14 UTC
3d2e71d Added method to download development data. This is used for generating docs and testing 17 March 2023, 14:30:00 UTC
58772ba Changed examples to have the same directory pathing as downloaded data 17 March 2023, 03:28:52 UTC
ee772e5 Moved download_examples and and welcome function to utils 17 March 2023, 00:30:08 UTC
57aafed Updated download_example and tested. 16 March 2023, 23:40:01 UTC
d689eef Updated .gitignore and removed .vscode 16 March 2023, 19:47:49 UTC
1ce211a Added compare_bands example and fixed an issue in the qeparser 06 March 2023, 21:09:42 UTC
a782b59 Doc updates 06 March 2023, 15:05:14 UTC
422caf5 Added option to specify band colors in fermi 2d 15 February 2023, 16:26:37 UTC
2b2d5da Added band selection in fermi2d 15 February 2023, 15:05:38 UTC
a57f14c More doc updates 14 February 2023, 16:21:14 UTC
d09858c Added orbital projection to fermi 2d. Also added fermi2d examples 13 February 2023, 01:07:14 UTC
a1a390d Bug fix in Fermi3D 09 February 2023, 16:02:19 UTC
425262f More doc updates. Changes in IO API and add docstrings to parsers 09 February 2023, 12:47:24 UTC
97a82b3 More doc updates. A updated api. Added complete doc to core modules. 06 February 2023, 19:18:27 UTC
42d04d8 More doc changes 05 February 2023, 19:03:21 UTC
d117152 Added new sphinx _build/html to docs 31 January 2023, 14:16:35 UTC
876f4bf Started Siesta Parser 26 January 2023, 12:52:25 UTC
2c112e3 More doc updates 23 January 2023, 14:48:22 UTC
bf7cc27 Added option to download specific example 13 January 2023, 17:07:24 UTC
36f1aa3 Added requirements_docs.txt 10 January 2023, 22:48:36 UTC
b86ef8e Initial dev push 10 January 2023, 18:11:07 UTC
850573c Update scriptFermi3D.py kpoints ebs.kpoints was assigned to bands keywords in the initialization of FermiSurface3D 26 August 2022, 20:00:09 UTC
f867f5e Update scriptBandsplot.py changed positional arguments to keywords for Procar parsing 26 August 2022, 18:21:56 UTC
203953a Update scriptDosplot.py dos_interpolation_factor when initializing VASPXML was set to None, changed interpolation_factor 23 August 2022, 15:49:39 UTC
932eedb Bug fixes in docs 10 August 2022, 18:22:28 UTC
b4ea144 Re-adding sphinx files 10 August 2022, 18:18:28 UTC
1e30f2d Bug fixes 10 August 2022, 16:55:02 UTC
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
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