| cb860a3 | Logan L | 10 March 2021, 03:15:51 UTC | Added fermi slice plane widget | 10 March 2021, 03:15:51 UTC |
| 43d7cfc | Logan L | 09 March 2021, 05:22:52 UTC | Reverting scriptFermi3D to a previous state | 09 March 2021, 05:22:52 UTC |
| 0854b27 | Logan L | 09 March 2021, 05:14:05 UTC | Fixed bug with aotm labeling in qe_dos_parser | 09 March 2021, 05:14:05 UTC |
| 2bd77ea | Logan L | 09 March 2021, 04:05:54 UTC | Bug in qe_dos_parser structure recored species not ions, fixed this | 09 March 2021, 04:05:54 UTC |
| 01d5a20 | Uthpala Herath | 07 March 2021, 10:19:03 UTC | Removed abinit.py from master branch to move to development branch. | 07 March 2021, 10:19:03 UTC |
| 51a360e | Uthpala Herath | 05 March 2021, 17:17:08 UTC | Fixed kdirect=False issue with elkparser | 05 March 2021, 17:17:08 UTC |
| de69893 | Logan L | 17 February 2021, 05:49:17 UTC | Took out code dependicies in isosurface and fermiSurface3D. Added extended_zone_directions as parameters to scriptFermi3D to allow ploting multiple zones in a given direction | 17 February 2021, 05:49:17 UTC |
| 2cb9a50 | Logan L | 10 February 2021, 07:24:14 UTC | Fixed more bugs with the parsing of the between qe_dos qe_dos_spin | 10 February 2021, 07:24:14 UTC |
| 27d1902 | Logan L | 09 February 2021, 14:41:00 UTC | Fixed bug in labeling of species for the qe_dos_parser. Also added condition to trigger self.get_wyckoff_positions() in Structure | 09 February 2021, 14:41:00 UTC |
| 3da9634 | Logan L | 06 February 2021, 04:59:30 UTC | bands and dos plot in qe | 06 February 2021, 04:59:30 UTC |
| ff492da | Pedram Tavadze | 23 January 2021, 00:20:46 UTC | Create todo.txt | 23 January 2021, 00:20:46 UTC |
| 19db5d1 | Pedram Tavadze | 23 January 2021, 00:16:16 UTC | Delete cuda10.yml | 23 January 2021, 00:16:16 UTC |
| 1a6b283 | petavazohi | 22 January 2021, 04:17:01 UTC | added eigenval and projections reading from vaspxml to the io.vasp | 22 January 2021, 04:17:01 UTC |
| 5c85637 | petavazohi | 20 January 2021, 02:14:26 UTC | 1. added wyckoff analysis from spglib to core.Structure 2. created directories io and utils 3. added a POSCAR parser to io 4. initiated core.ElectronicBandStacture 5. Removed vaspxml/parser.py as it was empty. The content was moved to vaspxml.py | 20 January 2021, 02:14:26 UTC |
| e1468df | Pedram Tavadze | 15 January 2021, 21:00:27 UTC | Update __init__.py Disabled bandgap until the error with metallic systems is fixed. | 15 January 2021, 21:00:27 UTC |
| c1eff34 | Uthpala Herath | 14 January 2021, 15:12:19 UTC | Recompiled sphinx to try to retrieve docstrings | 14 January 2021, 15:12:19 UTC |
| d8fbaa3 | Uthpala Herath | 12 January 2021, 03:16:10 UTC | Updated welcome screen with developers | 12 January 2021, 03:16:10 UTC |
| 658bfa5 | Logan L | 08 January 2021, 19:27:41 UTC | Fixed bxsf typo | 08 January 2021, 19:27:41 UTC |
| 138c389 | Logan L | 07 January 2021, 20:32:43 UTC | Updated fermisurface for lobster, qe, and bxsf | 07 January 2021, 20:32:43 UTC |
| 2b330bb | Logan L | 07 January 2021, 05:59:13 UTC | Added orbital, atomic, and spin projections options for lobster and QE | 07 January 2021, 05:59:13 UTC |
| 887b437 | Logan L | 07 January 2021, 05:30:56 UTC | Added lobster-qe fermi surface option | 07 January 2021, 05:30:56 UTC |
| 8f4e54e | Logan L | 06 January 2021, 23:08:48 UTC | Updated Fermi surface quantum espresso parser | 06 January 2021, 23:08:48 UTC |
| b4d6fdf | Logan L | 06 January 2021, 05:12:59 UTC | Fixed issue with bxsf parser and its implementation inside of isosurface | 06 January 2021, 05:12:59 UTC |
| 03d8291 | Logan L | 03 January 2021, 17:07:54 UTC | Updated documnetation for dftprep for QE and lobster | 03 January 2021, 17:07:54 UTC |
| b99be9a | Logan L | 02 January 2021, 23:49:42 UTC | Updated documnetation for dftprep for QE and lobster | 02 January 2021, 23:49:42 UTC |
| 5c102a3 | Logan L | 02 January 2021, 23:16:35 UTC | Updated documnetation for dftprep for QE and lobster | 02 January 2021, 23:16:35 UTC |
| c8b3d4b | petavazohi | 30 December 2020, 06:22:30 UTC | Added linewidth to the dosplots | 30 December 2020, 06:22:30 UTC |
| 0475372 | petavazohi | 22 December 2020, 23:41:33 UTC | 1. Changed the default font to Arial as most journals required Arials 2. changed increased the elimit of parametric dosplots by 5% to avoid empty sections in the edges | 22 December 2020, 23:41:33 UTC |
| e8631ba | Uthpala Herath | 11 December 2020, 14:26:44 UTC | Updated bands doc to resolve ambiguity about atom index | 11 December 2020, 14:26:44 UTC |
| fe383cf | Uthpala Herath | 07 December 2020, 17:32:53 UTC | Fixed bug in PyProcar.cat() for merging parallel Abinit files for spin polarized calculations. Converted units Ha to eV. | 07 December 2020, 17:32:53 UTC |
| e19e984 | Uthpala Herath | 30 November 2020, 16:31:58 UTC | Flag to enable or disable repair | 30 November 2020, 16:31:58 UTC |
| 1546607 | Uthpala Herath | 30 November 2020, 15:31:34 UTC | Updated README | 30 November 2020, 15:31:34 UTC |
| 751cf32 | Uthpala Herath | 25 November 2020, 10:18:23 UTC | Updated author list | 25 November 2020, 10:18:23 UTC |
| 2bd3ed9 | Uthpala Herath | 25 November 2020, 10:10:47 UTC | Updated setup.py to be more pythonic and efficient | 25 November 2020, 10:10:47 UTC |
| 65367b4 | Uthpala Herath | 25 November 2020, 10:09:52 UTC | Updated setup.py to be more pythonic and efficient | 25 November 2020, 10:09:52 UTC |
| 2e43f16 | Uthpala Herath | 25 November 2020, 01:57:02 UTC | Updates to parametric band plotting to change linewidth | 25 November 2020, 01:57:02 UTC |
| ecd0854 | Uthpala Herath | 18 November 2020, 17:00:06 UTC | Updated cat to get all PROCAR_* files in directory #2 | 18 November 2020, 17:00:06 UTC |
| d369aeb | Uthpala Herath | 18 November 2020, 16:47:29 UTC | Updated cat to get all PROCAR_* files in directory | 18 November 2020, 16:47:29 UTC |
| 41166f5 | Uthpala Herath | 16 November 2020, 14:46:37 UTC | Updated docstring in scriptCat.py and docs in bandgap calculation. | 16 November 2020, 14:46:37 UTC |
| 1b06552 | Uthpala Herath | 27 October 2020, 21:31:52 UTC | Removed pyvistaqt dependance. | 27 October 2020, 21:31:52 UTC |
| a6cd5ff | Logan | 26 October 2020, 19:07:38 UTC | removed pyvistaqt dependence | 26 October 2020, 19:07:38 UTC |
| 7b6db1f | Uthpala Herath | 26 October 2020, 16:48:13 UTC | Readded pyvistaqt in setup.py | 26 October 2020, 16:48:13 UTC |
| 9247904 | Uthpala Herath | 26 October 2020, 16:38:11 UTC | Removed pyvistaqt from setup.py | 26 October 2020, 16:38:11 UTC |
| 692eec2 | Uthpala Herath | 23 October 2020, 16:56:52 UTC | Updated Elkparser for parsing issues | 23 October 2020, 16:56:52 UTC |
| 9ec7611 | Logan | 16 October 2020, 04:13:07 UTC | Added pyvistaqt in setup to automatically install | 16 October 2020, 04:13:07 UTC |
| b18788c | Logan | 16 October 2020, 04:09:00 UTC | Change self.file=bxsf to self.file = file. | 16 October 2020, 04:09:00 UTC |
| 8a44cb3 | Logan | 15 October 2020, 03:36:35 UTC | Fermi3D can read bxsf files | 15 October 2020, 03:36:35 UTC |
| 87fc20f | petavazohi | 10 October 2020, 02:47:02 UTC | added verbose option to scriptDos and scriptBands | 10 October 2020, 02:47:02 UTC |
| b97b53a | petavazohi | 09 October 2020, 15:42:47 UTC | numbers printed as *** will be written as np.nan in vaspxml parser | 09 October 2020, 15:42:47 UTC |
| 7409a52 | Logan | 06 October 2020, 05:05:55 UTC | Fixed the pdos and dos parse | 06 October 2020, 05:05:55 UTC |
| fef380b | Logan | 22 September 2020, 06:16:17 UTC | Added dos using weights. Must use verbose = 'high' in bands.in | 22 September 2020, 06:16:17 UTC |
| 52a8766 | Logan | 22 September 2020, 06:13:42 UTC | Added dos using weights. Must use verbose = 'high' in bands.in | 22 September 2020, 06:13:42 UTC |
| c3eaa55 | Logan | 22 September 2020, 06:03:58 UTC | Added dos using weights. Must use verbose = 'high' in bands.in | 22 September 2020, 06:03:58 UTC |
| 4c49deb | Logan | 21 September 2020, 18:00:22 UTC | Fixed discontinuity issue in lobster bandsdosplot | 21 September 2020, 18:00:22 UTC |
| 1c6b047 | Logan | 21 September 2020, 04:57:20 UTC | Added dosplot and bandsplot feature for QE | 21 September 2020, 04:57:20 UTC |
| bfdd490 | Logan | 19 September 2020, 17:50:52 UTC | Added lobster bandsplot | 19 September 2020, 17:50:52 UTC |
| ea057c4 | petavazohi | 05 September 2020, 02:57:16 UTC | bug fix in sciptdosbands | 05 September 2020, 02:57:16 UTC |
| 309c96f | petavazohi | 05 September 2020, 02:50:24 UTC | added option to plot color bar to scriptbandsplot.py | 05 September 2020, 02:50:24 UTC |
| bf18df2 | petavazohi | 05 September 2020, 02:46:04 UTC | added plot_color_bar to scriptbandsdosplot.py | 05 September 2020, 02:46:04 UTC |
| ac70a8e | petavazohi | 05 September 2020, 00:07:35 UTC | change the orientation in dos in a way that it works with miss-spelling as well. It only checks the lower case of the first letter | 05 September 2020, 00:07:35 UTC |
| 7928a54 | petavazohi | 05 September 2020, 00:00:02 UTC | updated fermi3d documentation, and fixed the bug in __init__ | 05 September 2020, 00:00:02 UTC |
| 60244c2 | petavazohi | 03 September 2020, 16:31:39 UTC | 1. Wrote the docstringsof scriptFermi3D.py \n 2. Moved the surface and isosurface classes from fermi 3d to core | 03 September 2020, 16:31:39 UTC |
| c868c95 | petavazohi | 01 September 2020, 22:51:37 UTC | Updated the DOS documentation in sphinx | 01 September 2020, 22:51:37 UTC |
| f98451d | Logan | 31 August 2020, 18:45:33 UTC | Added option for user to use explict kpath in bands.in file instead of crystal_b method. Also added an example of this | 31 August 2020, 18:45:33 UTC |
| e2c1f4c | petavazohi | 31 August 2020, 15:09:18 UTC | updated the documentation of density of states | 31 August 2020, 15:09:18 UTC |
| 7c56fb7 | petavazohi | 30 August 2020, 21:17:01 UTC | modified scriptbandsdosplot to match the new changes of vaspxml and dos | 30 August 2020, 21:17:01 UTC |
| 3e162d6 | Logan | 30 August 2020, 15:33:35 UTC | corrected qe discontinuities, added example for LiNbO3 and LiF for lobster and qe | 30 August 2020, 15:33:35 UTC |
| c42c23f | Logan | 29 August 2020, 19:52:16 UTC | lobster plotting issue resolved, bands dimension was wrong | 29 August 2020, 19:52:16 UTC |
| 5ef4e08 | Logan | 29 August 2020, 16:04:44 UTC | fixed discontinuity in qe | 29 August 2020, 16:04:44 UTC |
| f9c800a | Logan | 29 August 2020, 14:57:26 UTC | fixed discontinuities | 29 August 2020, 14:57:26 UTC |
| e31fc8b | petavazohi | 29 August 2020, 02:19:59 UTC | modified scriptDosplot.py to match the new approach of using core.dos, tested add different modes | 29 August 2020, 02:19:59 UTC |
| c9c6f75 | Pedram Tavadze | 28 August 2020, 23:03:04 UTC | Updated setup to include vaspxml | 28 August 2020, 23:03:04 UTC |
| ef0f554 | petavazohi | 28 August 2020, 22:39:43 UTC | modified dosplot.py in a way that it's not code dependent | 28 August 2020, 22:39:43 UTC |
| de4e009 | petavazohi | 28 August 2020, 17:16:52 UTC | Merge branch 'master' of https://github.com/romerogroup/pyprocar | 28 August 2020, 17:16:52 UTC |
| 22b84b3 | petavazohi | 28 August 2020, 17:16:12 UTC | modified dos | 28 August 2020, 17:16:12 UTC |
| 96aed7e | Uthpala Herath | 28 August 2020, 16:20:44 UTC | Updated docs | 28 August 2020, 16:20:44 UTC |
| 8686266 | petavazohi | 26 August 2020, 15:19:33 UTC | errors fix | 26 August 2020, 15:19:33 UTC |
| 7f5451a | petavazohi | 25 August 2020, 11:21:04 UTC | merge logan's changes | 25 August 2020, 11:21:04 UTC |
| c71b562 | petavazohi | 25 August 2020, 11:15:55 UTC | modified core/DensityOfStates to fit loster analysis, modified plotting section accordingly | 25 August 2020, 11:15:55 UTC |
| e937792 | Logan | 24 August 2020, 17:02:08 UTC | updated qeparser, negative fermi energy(line 540 in qeparser.py), alphanumeric ( line 222 ) | 24 August 2020, 17:02:08 UTC |
| 26fafaf | lllangWV | 24 August 2020, 16:49:30 UTC | Merge pull request #37 from romerogroup/lobster_dos lobster_dos branch | 24 August 2020, 16:49:30 UTC |
| d2f22d3 | Logan | 24 August 2020, 16:42:02 UTC | lobster_dos branch | 24 August 2020, 16:42:02 UTC |
| 95273df | petavazohi | 21 August 2020, 15:43:19 UTC | changes in dosplot | 21 August 2020, 15:43:19 UTC |
| 10519df | petavazohi | 18 August 2020, 15:38:12 UTC | bug fix documentary | 18 August 2020, 15:38:12 UTC |
| ef6298d | petavazohi | 18 August 2020, 15:31:28 UTC | created pyprocar API page, added make github to the sphinx mkae file, added the spin asymmetry script | 18 August 2020, 15:31:28 UTC |
| 6153872 | petavazohi | 09 August 2020, 15:11:03 UTC | Merge branch 'master' of https://github.com/romerogroup/pyprocar | 09 August 2020, 15:11:03 UTC |
| 18bf4ad | petavazohi | 09 August 2020, 15:08:14 UTC | fixed bugs in dosplots, initiated the transition from pychemia to here. created core directory which includes structure.py, dos.py, surface.py, ... | 09 August 2020, 15:08:14 UTC |
| 3bc0231 | Uthpala Herath | 04 August 2020, 03:55:45 UTC | Merge branch 'master' of https://github.com/romerogroup/pyprocar | 04 August 2020, 03:55:45 UTC |
| 34d596f | Uthpala Herath | 04 August 2020, 03:55:31 UTC | Reshape lobster parser bands array | 04 August 2020, 03:55:31 UTC |
| cdf8ba6 | petavazohi | 03 August 2020, 18:12:59 UTC | Added manual xilimit for DOS in bandsdosplot | 03 August 2020, 18:12:59 UTC |
| fb28e0d | petavazohi | 03 August 2020, 17:56:54 UTC | fixed a bug in xlimit of bandsdosplot for DOS section | 03 August 2020, 17:56:54 UTC |
| 4c36243 | petavazohi | 03 August 2020, 17:51:01 UTC | fixed a bug in xlimit of bandsdosplot for DOS section | 03 August 2020, 17:51:01 UTC |
| 40a7e02 | petavazohi | 03 August 2020, 17:38:02 UTC | fixed a bug in xlimit of bandsdosplot for DOS section | 03 August 2020, 17:38:02 UTC |
| 6fe625f | petavazohi | 03 August 2020, 17:20:55 UTC | fixed a bug in xlimit of bandsdosplot for DOS section | 03 August 2020, 17:20:55 UTC |
| b0826f6 | Uthpala Herath | 28 July 2020, 08:27:58 UTC | Updated lobsterparse.py | 28 July 2020, 08:27:58 UTC |
| 0a8e7d8 | Uthpala Herath | 28 July 2020, 06:30:02 UTC | Fixed bugs in lobster and qe spin polarized calculations related to number of bands | 28 July 2020, 06:30:02 UTC |
| 3bff5ed | Uthpala Herath | 28 July 2020, 05:22:53 UTC | Updated spin colinear calculations for Quantum Espresso and Lobster codes. #2 | 28 July 2020, 05:22:53 UTC |
| 550606d | Uthpala Herath | 28 July 2020, 04:40:11 UTC | Updated spin colinear calculations for Quantum Espresso and Lobster codes. | 28 July 2020, 04:40:11 UTC |
| 20b3385 | Uthpala Herath | 27 July 2020, 03:08:23 UTC | Updated stand-alone script #2 | 27 July 2020, 03:08:23 UTC |
| 791a28a | Uthpala Herath | 27 July 2020, 02:58:31 UTC | Updated bandgap calculation script #2 | 27 July 2020, 02:58:31 UTC |
