https://github.com/romerogroup/pyprocar

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Revision Author Date Message Commit Date
f5e478c Completed fermi surface refactor 26 July 2023, 06:34:07 UTC
59be5fe Fermi Surface refactor 09 July 2023, 16:23:23 UTC
5452e8e abinit parser change 08 July 2023, 14:43:59 UTC
59ec900 added elk dos 07 July 2023, 13:55:28 UTC
131ca69 ebs and fermisurface3d update 07 July 2023, 13:23:09 UTC
bd072cd added abinit dos parser 02 July 2023, 08:29:47 UTC
fef5078 Add ROOT and LOGGER to utils 01 July 2023, 09:22:27 UTC
dcdde79 symmetrization method change 01 July 2023, 09:16:24 UTC
460fc2a Merge pull request #113 from romerogroup/main Updating to main 01 July 2023, 06:20:58 UTC
3c4cb15 Issue pulling with git. Nothing was wrong 01 July 2023, 06:18:51 UTC
8cfd9d5 Issue pulling with git. Nothing was wrong 01 July 2023, 06:17:48 UTC
3954936 Merge pull request #112 from romerogroup/main Pull from main 01 July 2023, 06:00:54 UTC
aa40dc5 Merge pull request #106 from romerogroup/dependabot/pip/requests-2.31.0 Bump requests from 2.28.1 to 2.31.0 01 July 2023, 05:56:04 UTC
0e0d128 Merge pull request #105 from romerogroup/dependabot/pip/mpmath-1.3.0 Bump mpmath from 1.2.1 to 1.3.0 01 July 2023, 05:55:03 UTC
dc96ff6 all the files of pyposcar added ./pyposcar -> the actual code ./test/pyposcar -> test suite (run.py) It is not yet tested into pyprocar (the relative path may need some work) 30 June 2023, 22:27:20 UTC
6c282b7 poscar.py added A lot of files are to be added, this is just a test 30 June 2023, 22:21:19 UTC
6c56946 Merge pull request #111 from romerogroup/dev pulling Dev into main 24 June 2023, 08:08:48 UTC
763c389 2d fermi spin texture bug fix and doc update 24 June 2023, 08:05:29 UTC
7711a74 Fermi Surfaces changes 23 June 2023, 03:23:00 UTC
ce96d5b Merge pull request #110 from romerogroup/main dev update to main 18 June 2023, 16:47:54 UTC
ef3b254 doc updates 14 June 2023, 21:17:12 UTC
1a8b0ef Updated readme changelog and added notice 14 June 2023, 20:58:14 UTC
da9652d Update README.md readme update 14 June 2023, 20:21:57 UTC
3bd85b7 Updating README. Added link to older documentation 14 June 2023, 20:19:35 UTC
40c20c8 doc, .gitignore, README.md updates 10 June 2023, 17:31:54 UTC
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
f6b7a88 Bump requests from 2.28.1 to 2.31.0 Bumps [requests](https://github.com/psf/requests) from 2.28.1 to 2.31.0. - [Release notes](https://github.com/psf/requests/releases) - [Changelog](https://github.com/psf/requests/blob/main/HISTORY.md) - [Commits](https://github.com/psf/requests/compare/v2.28.1...v2.31.0) --- updated-dependencies: - dependency-name: requests dependency-type: direct:production ... Signed-off-by: dependabot[bot] <support@github.com> 23 May 2023, 05:48:52 UTC
07f2bfc Bump mpmath from 1.2.1 to 1.3.0 Bumps [mpmath](https://github.com/fredrik-johansson/mpmath) from 1.2.1 to 1.3.0. - [Release notes](https://github.com/fredrik-johansson/mpmath/releases) - [Changelog](https://github.com/mpmath/mpmath/blob/master/CHANGES) - [Commits](https://github.com/fredrik-johansson/mpmath/compare/1.2.1...1.3.0) --- updated-dependencies: - dependency-name: mpmath dependency-type: direct:production ... Signed-off-by: dependabot[bot] <support@github.com> 22 May 2023, 16:29:23 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
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