| 0456918 | Mykhailo Klymenko | 19 December 2019, 03:11:17 UTC | Merge pull request #83 from freude/develop changed coveralls token | 19 December 2019, 03:11:17 UTC |
| c851e38 | freude | 19 December 2019, 03:10:17 UTC | changed coveralls token | 19 December 2019, 03:10:17 UTC |
| a653615 | Mykhailo Klymenko | 19 December 2019, 03:00:10 UTC | Merge pull request #82 from freude/develop Develop | 19 December 2019, 03:00:10 UTC |
| 1dcd768 | freude | 19 December 2019, 02:54:16 UTC | added tests | 19 December 2019, 02:54:16 UTC |
| 1eb28e5 | freude | 19 December 2019, 02:41:22 UTC | added documentation | 19 December 2019, 02:41:22 UTC |
| 2b0f877 | freude | 19 December 2019, 02:34:38 UTC | prerelease changes2 | 19 December 2019, 02:34:38 UTC |
| cc9293a | freude | 19 December 2019, 02:31:09 UTC | prerelease changes1 | 19 December 2019, 02:31:09 UTC |
| ee7e300 | Mykhailo Klymenko | 19 December 2019, 02:26:03 UTC | Merge pull request #81 from freude/develop prerelease changes | 19 December 2019, 02:26:03 UTC |
| ad0ed53 | freude | 19 December 2019, 02:15:27 UTC | prerelease changes | 19 December 2019, 02:15:27 UTC |
| c03b5ef | Mykhailo Klymenko | 13 December 2019, 04:57:09 UTC | Merge pull request #80 from freude/develop added verbosity setter | 13 December 2019, 04:57:09 UTC |
| 5d2e720 | freude | 13 December 2019, 04:48:13 UTC | added verbosity setter | 13 December 2019, 04:48:13 UTC |
| b7cf49a | Mykhailo Klymenko | 03 December 2019, 03:32:43 UTC | Merge pull request #79 from freude/develop This large commit includes new docs, significant code refactoring and… | 03 December 2019, 03:32:43 UTC |
| 4a7f72a | freude | 03 December 2019, 03:23:43 UTC | correct requirements.txt | 03 December 2019, 03:23:43 UTC |
| 698e8ec | freude | 03 December 2019, 03:09:38 UTC | correct reduced_mode_space.py | 03 December 2019, 03:09:38 UTC |
| 9dfc00c | freude | 03 December 2019, 03:04:49 UTC | correct setup.py | 03 December 2019, 03:04:49 UTC |
| 3c68ada | freude | 03 December 2019, 02:59:44 UTC | This large commit includes new docs, significant code refactoring and edited ipython notebooks. | 03 December 2019, 02:59:44 UTC |
| a2904ff | Mykhailo Klymenko | 11 November 2019, 02:06:17 UTC | Merge pull request #78 from freude/develop Develop | 11 November 2019, 02:06:17 UTC |
| 36163c3 | freude | 06 November 2019, 00:16:13 UTC | added two radial dependence functions | 06 November 2019, 00:16:13 UTC |
| 4b4b514 | freude | 05 November 2019, 23:56:06 UTC | added docs | 05 November 2019, 23:56:06 UTC |
| b6b07ca | freude | 02 November 2019, 13:58:27 UTC | added docs | 02 November 2019, 13:58:27 UTC |
| 5ba4925 | freude | 17 October 2019, 02:51:13 UTC | tests fix | 17 October 2019, 02:51:13 UTC |
| f729b11 | freude | 17 October 2019, 02:33:13 UTC | fixed tests | 17 October 2019, 02:33:13 UTC |
| 1eec0b9 | freude | 17 October 2019, 02:01:37 UTC | modified travis | 17 October 2019, 02:01:37 UTC |
| 7c5c409 | stripey-tiger | 30 September 2019, 01:13:22 UTC | Merge pull request #77 from freude/develop corrected LDOS in bi_nanoribbon_transport.py | 30 September 2019, 01:13:22 UTC |
| 7cd33bb | freude | 24 September 2019, 02:23:58 UTC | corrected LDOS in bi_nanoribbon_transport.py | 24 September 2019, 02:23:58 UTC |
| ab0c999 | Mykhailo Klymenko | 23 September 2019, 02:11:49 UTC | Nanonet logo | 23 September 2019, 02:11:49 UTC |
| b9d05ae | freude | 18 September 2019, 01:57:19 UTC | corrected the license badge in README | 18 September 2019, 01:57:19 UTC |
| 21185db | freude | 18 September 2019, 01:39:51 UTC | fixed bug and added transport in bi nanoribbon | 18 September 2019, 01:40:30 UTC |
| 2114fc2 | Jackson | 11 September 2019, 07:34:03 UTC | the k index computed for the band structure of a bismuth bilayer can now be cummulative, allowing the lengths of the segments of the high symmetry path to be shown accurately in a plot | 11 September 2019, 07:34:03 UTC |
| a88ae22 | Jackson | 10 September 2019, 00:12:41 UTC | eigenvectors for bismuth bilayer can now be written to file | 10 September 2019, 00:12:41 UTC |
| c75d30e | Jackson | 06 September 2019, 01:40:31 UTC | Merge branch 'master' of https://github.com/freude/NanoNet | 06 September 2019, 01:40:31 UTC |
| 2ead7ab | Jackson | 06 September 2019, 01:40:07 UTC | make some changes to do with the example calculation of transmission for a bismuth nanoribbon | 06 September 2019, 01:40:07 UTC |
| 9711c0d | freude | 16 August 2019, 05:19:37 UTC | updated README 2 | 16 August 2019, 05:19:37 UTC |
| 77c6757 | freude | 16 August 2019, 02:16:51 UTC | updated README | 16 August 2019, 02:16:51 UTC |
| 496fcce | freude | 06 August 2019, 12:02:49 UTC | replaced absolute value by real for the spin projection | 06 August 2019, 12:02:49 UTC |
| 5598841 | freude | 06 August 2019, 04:50:33 UTC | script to plot projected band structures | 06 August 2019, 04:50:33 UTC |
| aacb9a3 | freude | 30 July 2019, 05:29:40 UTC | density for bi nanoribbon | 30 July 2019, 05:29:40 UTC |
| 4ecfb35 | Jackson | 29 July 2019, 03:38:17 UTC | Merge branch 'master' of https://github.com/freude/NanoNet | 29 July 2019, 03:38:17 UTC |
| 815a35d | Jackson | 29 July 2019, 03:37:26 UTC | added example which calculates the transmission probability of a bismuth nanoribbon using negf | 29 July 2019, 03:37:26 UTC |
| 2195985 | Mykhailo Klymenko | 29 July 2019, 02:47:48 UTC | Merge pull request #73 from freude/negf added package negf | 29 July 2019, 02:47:48 UTC |
| 0aede25 | freude | 29 July 2019, 02:46:41 UTC | added package negf | 29 July 2019, 02:46:41 UTC |
| f20e25d | Jackson | 22 July 2019, 07:53:33 UTC | added an example to plot the band structure of a bismuth (111) nanoribbon | 22 July 2019, 07:53:33 UTC |
| 628492c | Mykhailo Klymenko | 19 July 2019, 03:18:25 UTC | Merge pull request #71 from freude/negf Negf | 19 July 2019, 03:18:25 UTC |
| 0c10993 | freude | 19 July 2019, 03:17:36 UTC | Added an example for a nanostrip | 19 July 2019, 03:17:36 UTC |
| 1f6a1a4 | freude | 12 July 2019, 07:31:56 UTC | improved get_coupling Hamiltonians | 12 July 2019, 07:31:56 UTC |
| c100c9e | freude | 12 July 2019, 05:51:26 UTC | added branch negf | 12 July 2019, 05:51:26 UTC |
| 14e153b | Mykhailo Klymenko | 12 July 2019, 03:22:25 UTC | Update LICENSE | 12 July 2019, 03:22:25 UTC |
| 9abf92e | Mykhailo Klymenko | 05 July 2019, 00:39:48 UTC | Merge pull request #70 from freude/develop Develop | 05 July 2019, 00:39:48 UTC |
| a22fce3 | freude | 05 July 2019, 00:38:37 UTC | improved matrix splitting algorithm | 05 July 2019, 00:38:37 UTC |
| 38e46f3 | freude | 02 July 2019, 07:41:30 UTC | corrected README after last refactoring | 02 July 2019, 07:41:30 UTC |
| 46319da | Mykhailo Klymenko | 02 July 2019, 07:32:53 UTC | Merge pull request #69 from freude/develop added tests for marix splitting | 02 July 2019, 07:32:53 UTC |
| 393caaf | freude | 02 July 2019, 07:32:09 UTC | added tests for marix splitting | 02 July 2019, 07:32:09 UTC |
| 43760d3 | Mykhailo Klymenko | 02 July 2019, 04:56:36 UTC | Merge pull request #68 from freude/develop configure test coverage | 02 July 2019, 04:56:36 UTC |
| c6623ac | freude | 02 July 2019, 04:55:48 UTC | configure test coverage | 02 July 2019, 04:55:48 UTC |
| 121385e | Mykhailo Klymenko | 02 July 2019, 04:52:30 UTC | Update issue templates | 02 July 2019, 04:52:30 UTC |
| 9c74489 | Mykhailo Klymenko | 02 July 2019, 04:43:21 UTC | Merge pull request #67 from freude/develop refactored Atoms to Orbitals | 02 July 2019, 04:43:21 UTC |
| 9e6bef4 | freude | 02 July 2019, 04:41:00 UTC | refactored Atoms to Orbitals | 02 July 2019, 04:41:00 UTC |
| 08e7491 | Mykhailo Klymenko | 02 July 2019, 04:27:58 UTC | Merge pull request #66 from freude/develop Develop | 02 July 2019, 04:27:58 UTC |
| cbbb4ce | Mykhailo Klymenko | 02 July 2019, 04:27:40 UTC | Merge branch 'master' into develop | 02 July 2019, 04:27:40 UTC |
| 7d7be97 | freude | 02 July 2019, 03:24:55 UTC | add sibroutines to split Hamiltonian into subblocks The soubroutines represent functions that takes a Hamiltonan matrix as an argument and gives sizes of diagonal subblocks | 02 July 2019, 03:24:55 UTC |
| 7fa1e8a | freude | 14 June 2019, 06:47:38 UTC | added spliting into blocks | 14 June 2019, 06:47:38 UTC |
| 6d0f6d6 | Jackson | 11 June 2019, 04:18:10 UTC | updated example for bismuth bilayer with new parameters specific to plots of bismuth paper | 11 June 2019, 04:18:10 UTC |
| 580c6a1 | freude | 11 June 2019, 00:59:26 UTC | renamed atoms as orbitals | 11 June 2019, 00:59:26 UTC |
| 77effe1 | Jackson | 04 June 2019, 04:36:33 UTC | minor changes to align text in definition of orbitals in example script for bilayer | 04 June 2019, 04:36:33 UTC |
| 7b3a361 | Jackson | 03 June 2019, 07:18:55 UTC | corrected gitignore so that PDF files in the main directory are not committed to the repo | 03 June 2019, 07:18:55 UTC |
| 905059d | Jackson | 03 June 2019, 07:17:28 UTC | removed redundant code from silicon nanowire example | 03 June 2019, 07:17:28 UTC |
| 6227cc8 | Jackson | 03 June 2019, 07:10:15 UTC | cleaned up the example for bulk silicon | 03 June 2019, 07:10:15 UTC |
| ac78383 | Jackson | 03 June 2019, 07:08:45 UTC | cleaned up the example for bulk silicon | 03 June 2019, 07:08:45 UTC |
| 808db11 | Jackson | 03 June 2019, 06:22:55 UTC | cleaned up the example script for bulk bismuth | 03 June 2019, 06:22:55 UTC |
| e1f4f24 | Jackson | 03 June 2019, 05:41:40 UTC | added a separate data file for the bulk silicon example | 03 June 2019, 05:41:40 UTC |
| 648a6e9 | Jackson | 03 June 2019, 05:12:31 UTC | cleaned up example script for bismuth bilayer. added a folder in examples directories for saving data from these scripts | 03 June 2019, 05:12:31 UTC |
| 7566b5f | Mykhailo Klymenko | 22 March 2019, 04:53:44 UTC | Merge pull request #65 from freude/develop made reduce mode a separate module | 22 March 2019, 04:53:44 UTC |
| ed08e6b | freude | 22 March 2019, 00:49:57 UTC | made reduce mode a separate module | 22 March 2019, 03:58:20 UTC |
| 11b4544 | Mykhailo Klymenko | 20 March 2019, 01:55:03 UTC | Merge pull request #64 from freude/develop buds fixed | 20 March 2019, 01:55:03 UTC |
| 2b8627c | freude | 20 March 2019, 01:51:45 UTC | added more xyz sample files | 20 March 2019, 01:51:45 UTC |
| 4182799 | freude | 14 March 2019, 06:07:36 UTC | buds fixed | 14 March 2019, 06:07:36 UTC |
| 1fc087d | Mykhailo Klymenko | 14 March 2019, 05:06:20 UTC | Merge pull request #63 from freude/develop reduced alpha | 14 March 2019, 05:06:20 UTC |
| 67b7ac0 | freude | 14 March 2019, 05:00:42 UTC | reduced alpha | 14 March 2019, 05:00:42 UTC |
| 540b714 | Mykhailo Klymenko | 11 February 2019, 06:32:03 UTC | Merge pull request #62 from freude/develop added special points | 11 February 2019, 06:32:03 UTC |
| d0265da | Mykhailo Klymenko | 11 February 2019, 06:30:19 UTC | added special points | 11 February 2019, 06:30:19 UTC |
| ea9b2bc | Mykhailo Klymenko | 11 February 2019, 06:28:57 UTC | Merge pull request #61 from freude/develop Develop | 11 February 2019, 06:28:57 UTC |
| f5d6bc0 | Mykhailo Klymenko | 11 February 2019, 06:27:06 UTC | Merge branch 'develop' of github.com:freude/NanoNet into develop | 11 February 2019, 06:27:06 UTC |
| 35203cd | Mykhailo Klymenko | 11 February 2019, 06:25:42 UTC | added __init__.py to examples | 11 February 2019, 06:25:42 UTC |
| be35503 | Jackson | 23 November 2018, 05:53:53 UTC | added some code for exporting band structures for plotting in gnuplot. this is not yet complete, i still need to scale the k points index by the relative lengths of the segments in the path taken through the brillouin zone. have also discovered that there is a double up of high symmetry points where two segments of a path are joined. for example, when the path K to GAMMA to M is used, this is made up of K to GAMMA and GAMMA to M, and when these segments are joined, the GAMMA point appears twice. i will look into fixing this also. | 23 November 2018, 05:53:53 UTC |
| 9773ba1 | Mykhailo Klymenko | 07 November 2018, 08:17:27 UTC | Merge pull request #60 from freude/develop Develop | 07 November 2018, 08:17:27 UTC |
| d37ea13 | Mykhailo Klymenko | 07 November 2018, 06:27:41 UTC | fixed Bi bilayer atomic coordinates | 07 November 2018, 06:27:41 UTC |
| 77c61fc | Mykhailo Klymenko | 07 November 2018, 00:38:01 UTC | cleaned up the code and improved logging | 07 November 2018, 00:38:01 UTC |
| 080bc90 | Mykhailo Klymenko | 06 November 2018, 12:37:25 UTC | Fixed error in computing SO coupling, added the directory examples, refactored code to decoupled newly defined material systems from the code core | 06 November 2018, 12:37:25 UTC |
| 048ebe3 | Mykhailo Klymenko | 05 November 2018, 03:39:51 UTC | Merge branch 'develop' of github.com:freude/NanoNet into develop | 05 November 2018, 03:39:51 UTC |
| 841d743 | Mykhailo Klymenko | 05 November 2018, 03:31:57 UTC | Added logging to th emodule and fixed bug in diatomic matrix element | 05 November 2018, 03:31:57 UTC |
| b2b6352 | Jackson | 02 November 2018, 06:06:41 UTC | made some changes to assist bug testing, results for bismuth bilayer are similar to literature when third-nearest neighbours are ignored. we therefore suspect there is an error in the determination of these neighbours. preliminary plotting of the nearest neighbours suggests some of the third-nearest neighbours are missing. jackson to investigate. | 02 November 2018, 06:06:41 UTC |
| 222abcb | Jackson | 01 November 2018, 06:40:58 UTC | tested the code for bilayer bismuth. it currently produces a band structure that is very similar to those reported in the literature for a bilayer | 01 November 2018, 06:40:58 UTC |
| 81969eb | Jackson | 01 November 2018, 04:42:00 UTC | correct some of the definitions of the matrix elements for spin-orbit coupling and the definition of the spin-orbit coupling parameter (denoted LAMBDA). the code now produces the correct band structure for bulk bismuth, including spin-orbit coupling. what remains to be done is clear up the implementation of the second spin channel, and spin-orbit coupling terms, and discover why the value of the spin-orbit coupling parameter must be input to the code as one-sixth of its true value. | 01 November 2018, 04:42:00 UTC |
| 1fd2856 | Jackson | 30 October 2018, 06:36:10 UTC | sucessfully added in a second spin channel to the hamiltonian matrix, the code now produces a spin degenerate band structure for bulk bismuth. began further modifications to include spin orbit coupling between the spin channels but currently this isn't working. when the spin orbit coupling term is taken to zero, the spin degenerate band structure for bulk bismuth is not recovered. this is to be fixed by jackson | 30 October 2018, 06:36:10 UTC |
| feab194 | Jackson | 30 October 2018, 00:03:13 UTC | commenting and the removal of some commented code. the code is currently setup up to plot the band structure of bulk bismuth without spin-orbit coupling and does this successfully | 30 October 2018, 00:03:13 UTC |
| 356b735 | Jackson | 26 October 2018, 03:53:20 UTC | mike made comparison between coordinates and positions of atoms in unit (XYZ file) more robust | 26 October 2018, 03:53:20 UTC |
| 4bb7a23 | Jackson | 26 October 2018, 03:09:16 UTC | updated the way the nearest neigbours are ignored | 26 October 2018, 03:09:16 UTC |
| 0055307 | Jackson | 26 October 2018, 02:43:27 UTC | updated the definitions of the nearest neighbour atoms, following mike's instructions. in addition, added the atomic coordinates have been modified for the unit cell of bilayer bismuth and the number of interfacial atoms output by the code has been increased | 26 October 2018, 02:43:27 UTC |
| f851515 | Jackson | 25 October 2018, 06:22:56 UTC | fixed the defintions for the nearest neighbour distances and added some code to visualise the nearest neighbour atoms | 25 October 2018, 06:22:56 UTC |
| 23ca565 | Jackson | 25 October 2018, 00:20:22 UTC | cleaned up definition of primitive cell | 25 October 2018, 00:20:22 UTC |
