https://github.com/romerogroup/pyprocar

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Revision Author Date Message Commit Date
bbc465c bandsplot,dosplot,bandsdosplot changes, bug fixes, doc updates 26 October 2023, 14:19:25 UTC
528e61d unfolding parametric bug fix 25 October 2023, 15:43:18 UTC
8e28785 pypi version update 24 October 2023, 18:12:56 UTC
72fad24 Vasp spd phase bug fix 16 October 2023, 21:23:20 UTC
daf8ab8 Added unfolding example to gallery 16 October 2023, 20:56:47 UTC
8220466 Updated unfolding 10 October 2023, 16:23:57 UTC
651d10c doc update 23 September 2023, 18:22:01 UTC
39ec285 Added 2 examples to gallery 14 September 2023, 21:35:55 UTC
7b2b52b Merge branch 'main' of github.com:romerogroup/pyprocar into main 14 September 2023, 17:45:57 UTC
c8f27a2 Bug fix in ebs and pyposcar. Added example 14 September 2023, 17:45:50 UTC
b183712 multicode supported for scriptAutoBandsplot 08 September 2023, 16:58:03 UTC
d637e1f smaller changes and bugfixes 08 September 2023, 01:40:53 UTC
1cdf988 autobnadsplot working 07 September 2023, 19:47:34 UTC
cfbb4a0 auto bandsplot added. Currently it gets the energy window, defect and clusters. 07 September 2023, 01:14:46 UTC
eb228bb new mode of ipr 07 September 2023, 00:49:30 UTC
043a9ba Merge branch 'main' of github.com:romerogroup/pyprocar into main 03 September 2023, 19:55:39 UTC
3e4f720 Tiny bug fixes 03 September 2023, 19:53:50 UTC
bc63222 minor bugfix in IPR 28 August 2023, 20:01:36 UTC
af31c1d Several bugfixed, and the parsing of dftb+ works 28 August 2023, 17:08:34 UTC
082fbed working in DFTB+ parser 28 August 2023, 12:01:05 UTC
9559b44 Added parsing of DFTB+, need to test 28 August 2023, 00:19:18 UTC
7f326e3 a print was deleted 27 August 2023, 00:59:17 UTC
7859d13 Smaller changes and bugfixes The mode IPR was added for bandsplot 27 August 2023, 00:56:04 UTC
b76f667 Version update 18 August 2023, 05:16:11 UTC
c0de420 example gallery updates 18 August 2023, 04:58:10 UTC
fbba918 example gallery updates 18 August 2023, 04:57:29 UTC
7f0504f Add atomic mode to bandsplot 17 August 2023, 05:45:22 UTC
12b1bc3 atomic mode updates 15 August 2023, 20:25:16 UTC
371e9c2 added atomic mode to bands plot 15 August 2023, 20:21:18 UTC
3bfb4dd Small updates 15 August 2023, 10:28:56 UTC
128789d bugfix in input creation of dftb+2procar.py 11 August 2023, 19:16:11 UTC
4836889 bugfixes dftb+2procar.py 11 August 2023, 14:38:54 UTC
99b7b45 dftb+2procar.py updated to work with pyprocar 6.0 11 August 2023, 02:26:29 UTC
92cc9d5 Testing for pyposcar fully functional 10 August 2023, 19:05:26 UTC
0c3661e bugfixes 10 August 2023, 18:37:55 UTC
6ea12e1 self-documentation updated. bugfixes 09 August 2023, 19:16:38 UTC
144aca9 minor version update 07 August 2023, 19:44:33 UTC
dec0dcc readme update 07 August 2023, 19:12:36 UTC
416e27f minor version update 07 August 2023, 19:11:05 UTC
c408063 Merge pull request #127 from romerogroup/dev Dev 07 August 2023, 18:55:39 UTC
c1a51a2 docs update and added .yml to setup 07 August 2023, 18:53:56 UTC
e597a50 Bug fix and doc updates 07 August 2023, 18:50:52 UTC
175cb05 Merge pull request #126 from romerogroup/main Bringing dev up to main 07 August 2023, 17:19:35 UTC
73cde9c bandstructure and fermi2d bug fixes 07 August 2023, 17:18:06 UTC
029705d Readme update 07 August 2023, 07:54:52 UTC
54c4dad small version update 07 August 2023, 07:51:33 UTC
bf538d5 bug fix 07 August 2023, 07:44:14 UTC
86f211d Bug fixes 07 August 2023, 07:42:09 UTC
40dedda Typo fix 07 August 2023, 06:53:49 UTC
77ac236 Minor version change 07 August 2023, 06:51:53 UTC
7266190 Merge pull request #125 from romerogroup/dev Dev: doc_update 07 August 2023, 06:44:03 UTC
7ced8b3 doc updates 07 August 2023, 06:36:42 UTC
e9f6381 Merge branch 'main' of https://github.com/romerogroup/pyprocar 04 August 2023, 01:05:13 UTC
5140ada added cache_property and some documentation 04 August 2023, 01:02:23 UTC
d2552a0 band structure 2d bug fix 31 July 2023, 09:01:53 UTC
3f5eff3 Merge pull request #122 from romerogroup/dev Dev 31 July 2023, 06:21:01 UTC
11e2c07 band structure config update 31 July 2023, 06:18:01 UTC
25b4abc Added fermi2d configuration file 31 July 2023, 06:05:57 UTC
ff0c5bc bug fix 30 July 2023, 08:59:57 UTC
0473435 vasp parser kpath bug fix 30 July 2023, 08:56:39 UTC
b755f9f Added band structure config file 30 July 2023, 08:51:10 UTC
fef036f Added dos configuration file 30 July 2023, 06:37:03 UTC
33116fa abinit parser update. Fix pathing issue of PROCAR 30 July 2023, 04:49:48 UTC
c38de8a Update to ebs calculate_scalars_gradient 29 July 2023, 18:07:24 UTC
5d06270 Merge pull request #121 from romerogroup/main Bringing dev up to main 29 July 2023, 06:30:57 UTC
10395e0 Merge branch 'dev' into main 29 July 2023, 06:30:38 UTC
587abdc Updated to fermi3d and bandstructure2d 29 July 2023, 06:16:30 UTC
bcd174a 2d bandstructure implementation 28 July 2023, 08:34:20 UTC
57ac3cb Updated fermi3d_plot,setup, and requirements 27 July 2023, 06:20:06 UTC
d414fb7 Merge branch 'dev' into 2d_band_structure 26 July 2023, 06:52:06 UTC
1c94add Merge pull request #118 from romerogroup/fermi_surface_changes Fermi surface changes 26 July 2023, 06:35:21 UTC
f5e478c Completed fermi surface refactor 26 July 2023, 06:34:07 UTC
f70feb9 pyvista deprecation fix 18 July 2023, 14:11:05 UTC
8ae2ca3 Initial 2d band_structure push 18 July 2023, 13:54:58 UTC
18e33be poscar_utils.py is working. It is also documented in the API-> pyposcar 13 July 2023, 19:35:00 UTC
832df6c Enabled sphinx docs for poscar.py 12 July 2023, 23:21:25 UTC
a1c8522 Bugfix in download_examples.py it failed to create a non-existing directory 12 July 2023, 20:31:42 UTC
a9c91a6 Basic functionality of poscar.py added (only that file by now). 12 July 2023, 01:14:37 UTC
e697eac Updated abinit.py parser to obtain xred coordinates for single atoms at origin 11 July 2023, 19:37:22 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
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