| 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 |
| 3e729b2 | Jackson | 24 October 2018, 23:46:09 UTC | added a new set of nearest neighbour tight-binding parameters to the dictionary for bismuth. this set is all zeros and can be used to turn off particular nearest neighbour interactions. also updated the code with new atomic positions and primitive lattice vectors for bilayer bismuth computed by mike from ASE, using the POSCAR supplied by jackson/monash. it appears the code is still not working because the nearest neighbour atoms are not being assigned correctly. jackson to investigate this. | 24 October 2018, 23:46:09 UTC |
| 26239ae | Mykhailo Klymenko | 10 October 2018, 03:28:47 UTC | code refactoring | 10 October 2018, 04:00:41 UTC |
| bce9f02 | Mykhailo Klymenko | 05 October 2018, 04:36:14 UTC | changed tolken of coveralls | 05 October 2018, 04:36:14 UTC |
| 7b175cb | Mykhailo Klymenko | 04 October 2018, 02:16:15 UTC | supress debuging output from hamiltonian | 04 October 2018, 02:16:15 UTC |
| bf78963 | Mykhailo Klymenko | 04 October 2018, 00:49:28 UTC | fix compatibility with py3 | 04 October 2018, 00:49:28 UTC |
| a13314d | Mykhailo Klymenko | 04 October 2018, 00:06:01 UTC | fix nearest neighbor search | 04 October 2018, 00:06:01 UTC |
| 1a5d9ae | Mykhailo Klymenko | 02 October 2018, 00:51:36 UTC | added more neighbours | 02 October 2018, 00:51:36 UTC |
| 0652cc4 | Jackson | 01 October 2018, 05:52:31 UTC | fixed minor errors that were the result of a merge with the master branch | 01 October 2018, 05:52:31 UTC |
| be8c203 | Jackson | 27 September 2018, 07:01:15 UTC | added a block of code to plot the coordinates of the virtual and interfacial atoms as a scatter plot. increased the number of nearest neighbours returned by CyclicTopology from 4 to 12. 4 is enough for bulk silicon but not enough for bulk bismuth. the band structure that is produced for bulk bismuth is now closer to being correct. however, the third nearest-neighbour vectors output by the code are currently incorrect and the spin orbit coupling term needs to be added to the hamiltonian | 01 October 2018, 05:38:24 UTC |
| 5e52e77 | Jackson | 17 September 2018, 07:29:06 UTC | minor changes to formatting. last commit of the day | 01 October 2018, 05:36:53 UTC |
| 8bceb8d | Jackson | 17 September 2018, 07:05:39 UTC | corrected the definitions of the reciprocal lattice vectors so that they now take the reciprocal lattice constant as an input. with this correction, the coordinates of the high symmetry points in reciprocal space are correct to a precision of eight decimal places | 01 October 2018, 05:36:53 UTC |
| bba4cef | Jackson | 17 September 2018, 05:23:03 UTC | modified the function that transforms the basis of the high symmetry points for bismuth | 01 October 2018, 05:36:53 UTC |
| e1c0543 | Jackson | 17 September 2018, 04:03:57 UTC | added a function to transform the high symmetry points from the basis of reciprocal lattice vectors to cartesian space | 01 October 2018, 05:36:53 UTC |
| 97c7746 | Jackson | 17 September 2018, 03:36:24 UTC | corrected the definitions of the high symmetry points in the Brillouin zone for bulk bismuth | 01 October 2018, 05:36:53 UTC |
| 30caafb | Jackson | 13 September 2018, 06:29:29 UTC | minor changes to the formatting of the code | 01 October 2018, 05:35:28 UTC |
| ea1d873 | Jackson | 13 September 2018, 04:19:37 UTC | cleaned up the code in the definition called main2. this definition is a list of inputs for generating the band structure of bulk bismuth | 01 October 2018, 05:35:28 UTC |
| 09b9ce4 | Jackson | 13 September 2018, 03:28:04 UTC | modified the way the band structure is plotted | 01 October 2018, 05:31:32 UTC |
| f7ba5b5 | Jackson | 13 September 2018, 02:15:25 UTC | cleaned up the code in the definition called main1. this definition is a list of inputs for generating the band structure of bulk silicon | 01 October 2018, 05:30:33 UTC |
| ed727d4 | Jackson | 13 September 2018, 01:53:40 UTC | the object called constants has been renamed to p (for parameters) to make it easier to call the variables and functions in this object | 01 October 2018, 05:30:33 UTC |
| 1630378 | Jackson | 13 September 2018, 01:24:23 UTC | first commit of the bismuth branch. the code accurately generates the band structure of bulk silicon from an xyz file, which has been added to the directory of sample inputs. this xyz file describes a unit cell that is face centred cubic with two atoms | 01 October 2018, 05:27:21 UTC |
| 05341c1 | Mykhailo Klymenko | 01 October 2018, 05:15:51 UTC | Merge pull request #51 from freude/develop adding get_site_coordinates to hamiltonian | 01 October 2018, 05:15:51 UTC |
| fc5880b | Mykhailo Klymenko | 01 October 2018, 04:30:39 UTC | set 3.6 version | 01 October 2018, 04:58:51 UTC |
| 3632125 | Mykhailo Klymenko | 01 October 2018, 04:27:50 UTC | convert everything to py3 | 01 October 2018, 04:27:50 UTC |
| 6bc6333 | Mykhailo Klymenko | 01 October 2018, 03:08:32 UTC | adding get_site_coordinates to hamiltonian | 01 October 2018, 03:22:57 UTC |
| 4d38260 | Mykhailo Klymenko | 10 September 2018, 00:20:37 UTC | Merge pull request #44 from freude/develop Develop | 10 September 2018, 00:20:37 UTC |
| 611156b | Mykhailo Klymenko | 07 September 2018, 01:09:20 UTC | Merge pull request #45 from freude/bismuth fix tests | 07 September 2018, 01:09:20 UTC |
| 093237e | Mykhailo Klymenko | 07 September 2018, 01:08:14 UTC | fix tests | 07 September 2018, 01:08:14 UTC |
| cd6f4b8 | Mykhailo Klymenko | 07 September 2018, 00:59:42 UTC | Merge pull request #43 from freude/bismuth Bismuth | 07 September 2018, 00:59:42 UTC |
| 0891b13 | Mykhailo Klymenko | 07 September 2018, 00:58:15 UTC | bismuth | 07 September 2018, 00:58:15 UTC |
| 6a050d0 | Mykhailo Klymenko | 06 September 2018, 05:45:29 UTC | bismuth1 | 06 September 2018, 05:45:29 UTC |
| 2c0d220 | Mykhailo Klymenko | 06 September 2018, 01:10:35 UTC | Merge pull request #42 from freude/siliocn_nanowire_clean Siliocn nanowire clean | 06 September 2018, 01:10:35 UTC |
| f5ece95 | Mykhailo Klymenko | 06 September 2018, 01:04:39 UTC | added bismuth example | 06 September 2018, 01:04:39 UTC |
| 2e0e3cb | Mykhailo Klymenko | 06 September 2018, 00:53:35 UTC | Update README.md | 06 September 2018, 00:53:35 UTC |
| 7451a34 | Mykhailo Klymenko | 24 August 2018, 05:14:03 UTC | Merge pull request #37 from freude/silicon_nanowire Silicon nanowire | 24 August 2018, 05:14:03 UTC |
| 6058faa | sglambert | 24 August 2018, 00:24:24 UTC | SiNWtest changes - code in loop | 24 August 2018, 00:24:24 UTC |
| 0b82d77 | sglambert | 14 August 2018, 10:39:43 UTC | second git commit with hamiltonian and silicon band structure code | 14 August 2018, 10:39:43 UTC |
| d94d70d | sglambert | 06 August 2018, 07:29:02 UTC | First commit with SiNWtest file | 06 August 2018, 07:29:02 UTC |
| 20400ed | Mykhailo Klymenko | 04 July 2018, 06:23:26 UTC | Merge pull request #36 from freude/develop modified scripts | 04 July 2018, 06:23:26 UTC |
| fd52614 | Mykhailo Klymenko | 04 July 2018, 06:12:24 UTC | modified scripts | 04 July 2018, 06:12:24 UTC |
| bd86dbe | Mykhailo Klymenko | 03 July 2018, 07:12:34 UTC | Merge pull request #35 from freude/develop improved documentation | 03 July 2018, 07:12:34 UTC |
| cc71b0c | Mykhailo Klymenko | 03 July 2018, 07:06:19 UTC | improved documentation | 03 July 2018, 07:06:19 UTC |
| 949f5ca | Mykhailo Klymenko | 03 July 2018, 06:27:33 UTC | Merge pull request #34 from freude/develop choose right graphics backend depending on :0 | 03 July 2018, 06:27:33 UTC |
| 9526061 | Mykhailo Klymenko | 03 July 2018, 06:21:45 UTC | added plotting feature distinguishing 1D and 3D band structures | 03 July 2018, 06:21:45 UTC |
| b8a04a1 | Mykhailo Klymenko | 03 July 2018, 04:07:47 UTC | choose right graphics backend depending on :0 | 03 July 2018, 04:07:47 UTC |
| c3b0b8b | Mykhailo Klymenko | 03 July 2018, 00:22:54 UTC | Merge pull request #33 from freude/develop added postprocessing and preprocessing functions to tb_script | 03 July 2018, 00:22:54 UTC |
| 3d891c9 | Mykhailo Klymenko | 03 July 2018, 00:16:18 UTC | added postprocessing and preprocessing functions to tb_script | 03 July 2018, 00:16:18 UTC |
| bf7ca75 | Mykhailo Klymenko | 02 July 2018, 03:22:36 UTC | Merge pull request #32 from freude/develop ploting in hamiltonian_sparse | 02 July 2018, 03:22:36 UTC |
| 0f4dee8 | Mykhailo Klymenko | 01 July 2018, 05:12:06 UTC | ploting in hamiltonian_sparse | 02 July 2018, 02:43:07 UTC |
| 5c36100 | Mykhailo Klymenko | 28 June 2018, 07:03:16 UTC | Merge pull request #31 from freude/develop added sparse solver and initializer | 28 June 2018, 07:03:16 UTC |
| 72726c6 | Mykhailo Klymenko | 28 June 2018, 06:17:06 UTC | added sparse solver and initializer | 28 June 2018, 06:22:19 UTC |
| 34085cd | Mykhailo Klymenko | 25 June 2018, 11:35:25 UTC | Delete tb.py | 25 June 2018, 11:35:25 UTC |
| f760ac9 | Mykhailo Klymenko | 25 June 2018, 11:35:15 UTC | Delete tbmpi.py | 25 June 2018, 11:35:15 UTC |
| 2014d83 | Mykhailo Klymenko | 25 June 2018, 11:32:17 UTC | Merge pull request #30 from freude/develop sync | 25 June 2018, 11:32:17 UTC |
| 03549f2 | Mykhailo Klymenko | 25 June 2018, 11:21:11 UTC | sync | 25 June 2018, 11:21:11 UTC |
| cc0cdd2 | Mykhailo Klymenko | 25 June 2018, 10:32:41 UTC | Merge pull request #29 from freude/develop Develop | 25 June 2018, 10:32:41 UTC |
| 031e938 | Mykhailo Klymenko | 25 June 2018, 10:28:22 UTC | added tests for aux_functions | 25 June 2018, 10:28:22 UTC |
| 0fbec29 | Mykhailo Klymenko | 25 June 2018, 00:51:15 UTC | added xyz parameter to command line arguments | 25 June 2018, 10:25:32 UTC |
| 6670179 | Mykhailo Klymenko | 25 June 2018, 02:13:44 UTC | Merge pull request #28 from freude/develop added xyz parameter to command line arguments | 25 June 2018, 02:13:44 UTC |
| 2bd4fe8 | Mykhailo Klymenko | 25 June 2018, 00:51:15 UTC | added xyz parameter to command line arguments | 25 June 2018, 00:51:15 UTC |
| 5e13a20 | Mykhailo Klymenko | 21 June 2018, 00:26:56 UTC | Merge pull request #27 from freude/develop refactored scripts | 21 June 2018, 00:26:56 UTC |
| e3fcb11 | Mykhailo Klymenko | 21 June 2018, 00:14:40 UTC | refactored scripts | 21 June 2018, 00:14:40 UTC |
| e74b13c | Mykhailo Klymenko | 13 June 2018, 05:27:55 UTC | Merge pull request #26 from freude/develop added scripts as entrypoints | 13 June 2018, 05:27:55 UTC |
| d7a2eeb | Mykhailo Klymenko | 13 June 2018, 05:25:19 UTC | Merge branch 'master' into develop | 13 June 2018, 05:25:19 UTC |
| f23cdcd | Mykhailo Klymenko | 13 June 2018, 04:45:10 UTC | added scripts as entrypoints | 13 June 2018, 05:22:15 UTC |
| 8525274 | Mykhailo Klymenko | 13 June 2018, 04:55:56 UTC | Merge pull request #25 from freude/develop added scripts as entrypoints | 13 June 2018, 04:55:56 UTC |
| 906b174 | Mykhailo Klymenko | 13 June 2018, 04:45:10 UTC | added scripts as entrypoints | 13 June 2018, 04:45:10 UTC |
| 0459751 | Mykhailo Klymenko | 07 June 2018, 05:42:54 UTC | Merge pull request #24 from freude/develop Develop | 07 June 2018, 05:42:54 UTC |
| 5d0b9e6 | Mykhailo Klymenko | 07 June 2018, 05:42:44 UTC | Merge branch 'master' into develop | 07 June 2018, 05:42:44 UTC |
| a987ef6 | Mykhailo Klymenko | 07 June 2018, 05:34:07 UTC | added script tbmpi into setup.py script | 07 June 2018, 05:34:07 UTC |
| c33b84d | Mykhailo Klymenko | 30 May 2018, 01:54:47 UTC | refactored initializer, added input sample for nanowire | 30 May 2018, 03:03:49 UTC |
| c3f71a8 | Mykhailo Klymenko | 30 May 2018, 00:23:09 UTC | Added mpi inteface to the project | 30 May 2018, 00:23:09 UTC |
| c655072 | Mykhailo Klymenko | 28 May 2018, 08:51:09 UTC | Merge pull request #23 from freude/develop fixed tb script | 28 May 2018, 08:51:09 UTC |
| 2242475 | Mykhailo Klymenko | 28 May 2018, 08:23:27 UTC | fixed tb script | 28 May 2018, 08:23:27 UTC |
| c9ad374 | Mykhailo Klymenko | 27 May 2018, 03:52:10 UTC | Merge pull request #22 from freude/develop added more tests | 27 May 2018, 03:52:10 UTC |
| e238e90 | Mykhailo Klymenko | 27 May 2018, 03:43:42 UTC | added more tests | 27 May 2018, 03:43:42 UTC |
| 2d744de | Mykhailo Klymenko | 24 May 2018, 04:07:45 UTC | Update README.md | 24 May 2018, 04:07:45 UTC |
| 8113b2d | Mykhailo Klymenko | 24 May 2018, 04:05:54 UTC | Update README.md | 24 May 2018, 04:05:54 UTC |
| dd25516 | Mykhailo Klymenko | 24 May 2018, 04:04:15 UTC | Rename index.html to README.md | 24 May 2018, 04:04:15 UTC |
| bed2e57 | Mykhailo Klymenko | 24 May 2018, 04:01:40 UTC | Set theme jekyll-theme-minimal | 24 May 2018, 04:01:40 UTC |
| 59db5ae | Mykhailo Klymenko | 24 May 2018, 03:53:52 UTC | Create README.md | 24 May 2018, 03:53:52 UTC |
| 77c278d | Mykhailo Klymenko | 24 May 2018, 03:51:34 UTC | Set theme jekyll-theme-leap-day | 24 May 2018, 03:51:34 UTC |
| aa6bda0 | Mykhailo Klymenko | 24 May 2018, 03:50:30 UTC | Set theme jekyll-theme-minimal | 24 May 2018, 03:50:30 UTC |
| d958ba7 | Mykhailo Klymenko | 24 May 2018, 03:49:30 UTC | Rename README.md to index.html | 24 May 2018, 03:49:30 UTC |
| ad90d5d | Mykhailo Klymenko | 24 May 2018, 03:45:36 UTC | Create README.md | 24 May 2018, 03:45:36 UTC |
| ded6424 | Mykhailo Klymenko | 24 May 2018, 03:43:02 UTC | Set theme jekyll-theme-minimal | 24 May 2018, 03:43:02 UTC |
| 14c316b | Mykhailo Klymenko | 24 May 2018, 03:40:47 UTC | Merge pull request #21 from freude/develop added empty docs directory | 24 May 2018, 03:40:47 UTC |
| 4ac73f2 | Mykhailo Klymenko | 24 May 2018, 03:38:55 UTC | added empty docs directory | 24 May 2018, 03:38:55 UTC |
| c8ef2c0 | Mykhailo Klymenko | 24 May 2018, 01:30:35 UTC | Merge pull request #20 from freude/develop Makes function surface_greens_function_poles accept list of Hamiltoni… | 24 May 2018, 01:30:35 UTC |
| eff75be | Mykhailo Klymenko | 24 May 2018, 01:25:06 UTC | Makes function surface_greens_function_poles accept list of Hamiltonian blocks Instead of three-diagonal block structure it can now deal with larger number of diagonals. This may be useful to take into consideration coupling not only between nearest neighbors, but consider second- nearest neighbors interaction etc. | 24 May 2018, 01:25:06 UTC |
| 6d96f4d | Mykhailo Klymenko | 23 May 2018, 05:01:20 UTC | Merge pull request #19 from freude/develop Develop | 23 May 2018, 05:01:20 UTC |
| e6f490a | Mykhailo Klymenko | 23 May 2018, 04:59:11 UTC | modified README and IPython notebooks | 23 May 2018, 04:59:11 UTC |
| 389bb70 | Mykhailo Klymenko | 14 May 2018, 02:55:42 UTC | added more tests | 14 May 2018, 02:55:42 UTC |
| 250dbc7 | Mykhailo Klymenko | 12 May 2018, 13:40:40 UTC | Merge pull request #18 from freude/develop edited readme | 12 May 2018, 13:40:40 UTC |
| 4450533 | Mykhailo Klymenko | 12 May 2018, 13:37:33 UTC | edited readme | 12 May 2018, 13:37:33 UTC |
