https://github.com/romerogroup/pyprocar

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Revision Author Date Message Commit Date
4e4167f Updated docs 29 March 2024, 18:45:32 UTC
30cb5c1 Preparing for version update 29 March 2024, 17:56:10 UTC
54c788a Changed default behavior of plots to not shift by fermi energy. User must specify fermi to shift by fermi. Avoids issues of not using self-consistent fermi energy 29 March 2024, 17:55:07 UTC
d6b8e26 Updated examples 29 March 2024, 17:52:23 UTC
d8e9236 Refactor code: Remove unused imports and functions 28 March 2024, 14:26:00 UTC
af9c76f Update fermi values in plot scripts 28 March 2024, 14:25:28 UTC
d723ed4 Added dos overlay modes and added method to catch projected normalization divide by 0 errors 19 March 2024, 07:16:33 UTC
f29fce2 Added fermi energy warning message if not set 19 March 2024, 05:40:33 UTC
bb35713 Add Fermi energy to DensityOfStates class and update related files 19 March 2024, 05:39:51 UTC
6a25485 Fixed fermi argument bug for bandsplot 19 March 2024, 04:42:33 UTC
433fb28 Updated pypi to v6.1.8 05 March 2024, 23:52:15 UTC
6b8149d Add new files and update DOSPlot class in dos_plot.py 05 March 2024, 23:14:15 UTC
5385dd1 Create CODE_OF_CONDUCT.md 15 January 2024, 20:36:17 UTC
942812a bug fix in defects.py 15 January 2024, 20:07:44 UTC
bd03e6b Deploying updated docs 15 January 2024, 18:17:23 UTC
709fc52 Updated docstrings in ebs.py 15 January 2024, 18:13:27 UTC
03cd602 Removed io/modulues, updated formatting of imports 15 January 2024, 17:45:42 UTC
d0005f2 Updated .gitignore 15 January 2024, 17:18:35 UTC
ab611cf Updated .gitignore 15 January 2024, 17:17:32 UTC
af0ac0c Merging remote and local 15 January 2024, 16:55:36 UTC
b44fd82 doc updates 15 January 2024, 16:52:24 UTC
eebd36f bug fix in scatter plot bug fix in ebs_plot -> fix_collinear_spin 11 January 2024, 16:53:37 UTC
9a2f75d Working to allow diverging spin plots 11 January 2024, 10:42:30 UTC
a5f3f89 Merge vasp.py updates 09 January 2024, 16:51:36 UTC
3416bd0 Updated docs 09 January 2024, 16:49:41 UTC
2998368 bug fix in utils.string.remove_comment 06 January 2024, 20:58:15 UTC
bdbb041 Bug fix. 2d bands needed to shift fermi level to 0 03 January 2024, 17:06:13 UTC
74b1bea Fixed bug in Poscar reading comments 28 December 2023, 23:31:57 UTC
d7cc7a6 Changed += to merge. Avoid point merge. 01 December 2023, 18:34:17 UTC
6cdcd39 Merge branch 'main' of github.com:romerogroup/pyprocar into main 01 December 2023, 15:42:27 UTC
e938d27 Added option to label colorbar 01 December 2023, 15:42:19 UTC
feaa994 removed some print statements from atomic plot 01 December 2023, 12:08:16 UTC
20b3a8f changes in atomic plot, now the text of doulbe degenerated levels do not overlap 01 December 2023, 12:03:18 UTC
d0cfd8b now gobal connectivity is really added 22 November 2023, 23:20:51 UTC
efbbb30 Global connectivity added 22 November 2023, 23:19:57 UTC
995e91a Added kdirect option back to bandsplot 14 November 2023, 20:02:39 UTC
a6c5b8d Bug fix in fermi3d slice 14 November 2023, 14:08:23 UTC
b11502e added a fix for wrong user input in filtering atoms: [0,[1,2]] -> [[0],[1,2]] 10 November 2023, 12:30:23 UTC
9e8f627 VASP bugfix related to POSCAR in cartesian 26 October 2023, 21:48:07 UTC
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
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