| 41cf4d9 | Mykhailo Klymenko | 24 December 2023, 03:59:22 UTC | fixed setup | 24 December 2023, 03:59:22 UTC |
| e1f2316 | Mykhailo Klymenko | 24 December 2023, 03:48:08 UTC | fixed version tracker | 24 December 2023, 03:48:08 UTC |
| 637192a | Mykhailo Klymenko | 26 September 2023, 05:40:37 UTC | Merge pull request #120 from freude/freude-patch-20 Delete .coveralls.yml | 26 September 2023, 05:40:37 UTC |
| 318745f | Mykhailo Klymenko | 26 September 2023, 05:40:28 UTC | Delete .coveralls.yml | 26 September 2023, 05:40:28 UTC |
| 67fffe7 | Mykhailo Klymenko | 26 September 2023, 05:40:08 UTC | Merge pull request #119 from freude/freude-patch-19 Update README.md | 26 September 2023, 05:40:08 UTC |
| c662467 | Mykhailo Klymenko | 26 September 2023, 05:39:50 UTC | Update README.md | 26 September 2023, 05:39:50 UTC |
| 143c1b4 | Mykhailo Klymenko | 26 September 2023, 05:24:23 UTC | Merge pull request #118 from freude/freude-patch-18 Update pythonpackage.yml | 26 September 2023, 05:24:23 UTC |
| 62bd75a | Mykhailo Klymenko | 26 September 2023, 05:24:12 UTC | Update pythonpackage.yml | 26 September 2023, 05:24:12 UTC |
| 86ddde9 | Mykhailo Klymenko | 26 September 2023, 05:10:36 UTC | Merge pull request #117 from freude/freude-patch-17 Update pythonpackage.yml | 26 September 2023, 05:10:36 UTC |
| 935bc6e | Mykhailo Klymenko | 26 September 2023, 05:04:46 UTC | Update pythonpackage.yml | 26 September 2023, 05:04:46 UTC |
| 884f950 | Mykhailo Klymenko | 26 September 2023, 04:59:10 UTC | Merge pull request #116 from freude/freude-patch-17 Update pythonpackage.yml | 26 September 2023, 04:59:10 UTC |
| be9d164 | Mykhailo Klymenko | 26 September 2023, 04:58:59 UTC | Update pythonpackage.yml | 26 September 2023, 04:58:59 UTC |
| 5683011 | Mykhailo Klymenko | 26 September 2023, 04:53:14 UTC | Merge pull request #115 from freude/freude-patch-16 Update pythonpackage.yml | 26 September 2023, 04:53:14 UTC |
| b1d6930 | Mykhailo Klymenko | 26 September 2023, 04:53:03 UTC | Update pythonpackage.yml | 26 September 2023, 04:53:03 UTC |
| 7b74e39 | Mykhailo Klymenko | 26 September 2023, 04:34:16 UTC | Merge pull request #114 from freude/freude-patch-15 Update README.md | 26 September 2023, 04:34:16 UTC |
| 8e5b830 | Mykhailo Klymenko | 26 September 2023, 04:29:29 UTC | Merge pull request #113 from freude/freude-patch-14 Update pythonpackage.yml | 26 September 2023, 04:29:29 UTC |
| 7e1f4b3 | Mykhailo Klymenko | 26 September 2023, 04:23:18 UTC | Update README.md | 26 September 2023, 04:23:18 UTC |
| 8253ec1 | Mykhailo Klymenko | 26 September 2023, 04:17:27 UTC | Update pythonpackage.yml | 26 September 2023, 04:17:27 UTC |
| faf7632 | Mykhailo Klymenko | 24 September 2023, 10:19:38 UTC | Merge pull request #112 from freude/freude-patch-13 Update pythonpackage.yml | 24 September 2023, 10:19:38 UTC |
| f618a1d | Mykhailo Klymenko | 24 September 2023, 10:19:27 UTC | Update pythonpackage.yml | 24 September 2023, 10:19:27 UTC |
| c6d3100 | Mykhailo Klymenko | 24 September 2023, 10:10:27 UTC | Merge pull request #111 from freude/freude-patch-12 Update pythonpackage.yml | 24 September 2023, 10:10:27 UTC |
| bac4bd6 | Mykhailo Klymenko | 24 September 2023, 10:10:18 UTC | Update pythonpackage.yml | 24 September 2023, 10:10:18 UTC |
| 7137dfe | Mykhailo Klymenko | 24 September 2023, 10:04:42 UTC | Merge pull request #110 from freude/freude-patch-11 Update pythonpackage.yml | 24 September 2023, 10:04:42 UTC |
| 25ec950 | Mykhailo Klymenko | 24 September 2023, 10:04:27 UTC | Update pythonpackage.yml | 24 September 2023, 10:04:27 UTC |
| 40a7502 | Mykhailo Klymenko | 24 September 2023, 09:55:24 UTC | Merge pull request #109 from freude/freude-patch-10 Update pythonpackage.yml | 24 September 2023, 09:55:24 UTC |
| 7a866e9 | Mykhailo Klymenko | 24 September 2023, 09:50:31 UTC | Update pythonpackage.yml | 24 September 2023, 09:50:31 UTC |
| 9cbb381 | Mykhailo Klymenko | 24 September 2023, 09:30:32 UTC | Merge pull request #108 from freude/freude-patch-9 Update pythonpackage.yml | 24 September 2023, 09:30:32 UTC |
| 8191f98 | Mykhailo Klymenko | 24 September 2023, 09:27:18 UTC | Update pythonpackage.yml | 24 September 2023, 09:27:18 UTC |
| c6fbc28 | Mykhailo Klymenko | 24 September 2023, 09:25:08 UTC | Update pythonpackage.yml | 24 September 2023, 09:25:08 UTC |
| 535b974 | Mykhailo Klymenko | 24 September 2023, 09:19:58 UTC | Update pythonpackage.yml | 24 September 2023, 09:19:58 UTC |
| 6789fee | Mykhailo Klymenko | 24 September 2023, 09:16:29 UTC | Update pythonpackage.yml | 24 September 2023, 09:16:29 UTC |
| a1e905d | Mykhailo Klymenko | 24 September 2023, 08:20:08 UTC | Update pythonpackage.yml | 24 September 2023, 08:20:08 UTC |
| 246c288 | Mykhailo Klymenko | 24 September 2023, 07:48:41 UTC | Merge pull request #107 from freude/freude-patch-8 Delete .github/workflows/python-publish-release.yml | 24 September 2023, 07:48:41 UTC |
| 06a0380 | Mykhailo Klymenko | 24 September 2023, 07:48:28 UTC | Delete .github/workflows/python-publish-release.yml | 24 September 2023, 07:48:28 UTC |
| c6bf8fc | Mykhailo Klymenko | 24 September 2023, 07:24:42 UTC | Merge pull request #106 from freude/freude-patch-7 Create python-publish-release.yml | 24 September 2023, 07:24:42 UTC |
| 27154f6 | Mykhailo Klymenko | 24 September 2023, 07:24:30 UTC | Create python-publish-release.yml | 24 September 2023, 07:24:30 UTC |
| 58dfb1b | Mykhailo Klymenko | 24 September 2023, 06:51:54 UTC | Merge pull request #105 from freude/freude-patch-6 Update python-publish.yml | 24 September 2023, 06:51:54 UTC |
| 736fe9f | Mykhailo Klymenko | 24 September 2023, 06:50:24 UTC | Update python-publish.yml | 24 September 2023, 06:50:24 UTC |
| dafe5f7 | Mykhailo Klymenko | 24 September 2023, 06:38:13 UTC | Merge pull request #104 from freude/freude-patch-5 Update python-publish.yml | 24 September 2023, 06:38:13 UTC |
| 2a3932e | Mykhailo Klymenko | 24 September 2023, 06:38:02 UTC | Update python-publish.yml | 24 September 2023, 06:38:02 UTC |
| 85b0798 | Mykhailo Klymenko | 24 September 2023, 06:27:48 UTC | Merge pull request #103 from freude/freude-patch-4 Update setup.py | 24 September 2023, 06:27:48 UTC |
| 893001d | Mykhailo Klymenko | 24 September 2023, 06:27:34 UTC | Update setup.py | 24 September 2023, 06:27:34 UTC |
| 5cf6919 | Mykhailo Klymenko | 24 September 2023, 06:26:06 UTC | Merge pull request #102 from freude/freude-patch-3 Update python-publish.yml | 24 September 2023, 06:26:06 UTC |
| 67904b4 | Mykhailo Klymenko | 24 September 2023, 06:25:54 UTC | Update python-publish.yml | 24 September 2023, 06:25:54 UTC |
| 004b82c | Mykhailo Klymenko | 24 September 2023, 06:12:03 UTC | Merge pull request #101 from freude/freude-patch-2 Create python-publish.yml | 24 September 2023, 06:12:03 UTC |
| c382cb9 | Mykhailo Klymenko | 24 September 2023, 06:06:19 UTC | Create python-publish.yml | 24 September 2023, 06:06:19 UTC |
| ae903db | Mike Klymenko | 20 July 2023, 05:29:31 UTC | optimized continued fraction representation | 20 July 2023, 05:29:31 UTC |
| 9dae21f | Mike Klymenko | 04 May 2023, 16:18:30 UTC | cleaning comments | 04 May 2023, 16:18:30 UTC |
| 5acde75 | Mike Klymenko | 04 May 2023, 16:09:29 UTC | cleaning comments | 04 May 2023, 16:09:29 UTC |
| 5e1725a | Mykhailo Klymenko | 02 May 2023, 15:53:53 UTC | Update README.md | 02 May 2023, 15:53:53 UTC |
| 61aafbf | Mykhailo Klymenko | 02 May 2023, 15:49:06 UTC | Update README.md | 02 May 2023, 15:49:06 UTC |
| 6c5975e | Mike Klymenko | 02 May 2023, 15:41:55 UTC | removed numpy.warnings | 02 May 2023, 15:41:55 UTC |
| 441ab94 | Mike Klymenko | 02 May 2023, 15:32:38 UTC | fixed diatomic_matric_elment (bug #99) | 02 May 2023, 15:32:38 UTC |
| 1ed23c7 | Mykhailo Klymenko | 20 May 2022, 04:24:50 UTC | Merge pull request #98 from freude/transistor refactored structure_designer.py | 20 May 2022, 04:24:50 UTC |
| 3b00dc6 | freude | 20 May 2022, 04:22:20 UTC | refactored structure_designer.py | 20 May 2022, 04:22:20 UTC |
| 3784869 | freude | 08 December 2021, 10:05:56 UTC | fixed warnings after pytest | 08 December 2021, 10:05:56 UTC |
| d69d519 | Mike Klymenko | 08 December 2021, 04:18:14 UTC | mpi is now unnecessary | 08 December 2021, 04:18:14 UTC |
| 9d9f7f4 | freude | 21 May 2021, 03:36:16 UTC | fixed carbons according to new interface | 21 May 2021, 03:36:16 UTC |
| c7a37cd | freude | 21 May 2021, 03:32:39 UTC | implemented ability to set several nn_distances instead of int_dist_func | 21 May 2021, 03:32:39 UTC |
| 05c7db3 | freude | 05 May 2021, 04:02:34 UTC | fix issue with negative atomic coordinates | 05 May 2021, 04:02:34 UTC |
| 07dc966 | Mykhailo Klymenko | 02 May 2021, 23:12:05 UTC | Update README.md | 02 May 2021, 23:12:05 UTC |
| ee31cd3 | Mykhailo Klymenko | 02 May 2021, 23:10:51 UTC | Update README.md | 02 May 2021, 23:10:51 UTC |
| e93c5a2 | Jesse | 16 March 2021, 05:38:09 UTC | Merge pull request #96 from freude/poles Density Matrix Pole Summation | 16 March 2021, 05:38:09 UTC |
| 700426a | Jesse | 15 March 2021, 11:00:51 UTC | Changed examples to be a bit more time cheap. Note that most of the time is in the numerical integration which is very sensitive to the van hove singularity at the band edge. | 15 March 2021, 11:00:51 UTC |
| 9e26143 | Jesse | 12 March 2021, 13:52:44 UTC | Did a whole rewrite of the fermi function definition to handle large arguments properly. No more overflow error and the codebase now properly handles cold temperatures. Important patch. | 12 March 2021, 13:52:44 UTC |
| 2aea572 | Jesse | 12 March 2021, 04:08:11 UTC | Fixed some typos from copying over old code relating to derivatives/density, added some commented out functions that users can look at if they want to see some of the inner workings of the methods. | 12 March 2021, 04:08:11 UTC |
| 0abcacf | Jesse | 12 March 2021, 03:45:50 UTC | Added first order pole summation method for density matrix and example. | 12 March 2021, 03:45:50 UTC |
| 0390708 | Jesse | 11 March 2021, 07:33:10 UTC | Added in optimizers for first order pole method. Temperatures and chemical potentials are chosen such that each pole branch will be directly between the poles from an orthogonal branch, thereby preventing overlap and avoiding second order pole issues | 11 March 2021, 07:33:10 UTC |
| e486973 | Jesse | 11 March 2021, 01:55:40 UTC | Added optional example commented out. | 11 March 2021, 01:55:40 UTC |
| 3848a07 | Jesse | 10 March 2021, 08:24:47 UTC | Merge pull request #95 from freude/poles Added discrete Hilbert transform functionality based on linearly inte… | 10 March 2021, 08:24:47 UTC |
| 8783c8d | Jesse | 10 March 2021, 08:13:59 UTC | Added discrete Hilbert transform functionality based on linearly interpolating basis method in Vaitkus thesis. Provided an example transform of 1/(x^2+1) -> x/(x^2+1) demonstrating accuracy of method and inaccuracy of FFT method. | 10 March 2021, 08:13:59 UTC |
| eee129b | Jesse | 09 March 2021, 05:43:45 UTC | Merge pull request #94 from freude/poles Tidied up pole_and_int_comparison.py now gives detailed instructions … | 09 March 2021, 05:43:45 UTC |
| 30db5f2 | Jesse | 09 March 2021, 05:41:34 UTC | Tidied up pole_and_int_comparison.py now gives detailed instructions what each thing is doing, gives colour coded plots that should be colourblind friendly and computes the relative difference between integration and pole based solutions. Obsoletes poletest2.py which has now been removed. | 09 March 2021, 05:41:34 UTC |
| 038b06b | Mykhailo Klymenko | 06 March 2021, 10:30:23 UTC | Merge pull request #93 from freude/poles Poles | 06 March 2021, 10:30:23 UTC |
| 350f279 | Mykhailo Klymenko | 06 March 2021, 10:22:19 UTC | Update pythonpackage.yml | 06 March 2021, 10:22:19 UTC |
| cbfc2d8 | Mykhailo Klymenko | 06 March 2021, 10:20:03 UTC | Update pythonpackage.yml | 06 March 2021, 10:20:03 UTC |
| b36daf5 | Jesse | 06 March 2021, 05:24:10 UTC | removed pointless semi-colons | 06 March 2021, 05:24:10 UTC |
| 30bdabb | Jesse | 06 March 2021, 05:12:48 UTC | Fixed all the erroneous factors, there are no more "fudge factors", answers all agree excellently. Next step is to tidy up to turn this into an example. | 06 March 2021, 05:12:48 UTC |
| 7d65408 | Jesse | 05 March 2021, 03:56:31 UTC | Put exact first and second derivatives as additional numerical integration examples. Both the finite difference based numerical integration and pole summation methods agree very well with the analytical derivatives demonstrating that they are both reasonable approximations and suitable methods for simulation. | 05 March 2021, 03:56:31 UTC |
| 374d8d7 | Jesse | 05 March 2021, 03:20:40 UTC | Added in numerical examples, solutions agree up to a factor of two that is missing somewhere. | 05 March 2021, 03:20:40 UTC |
| 2a033c0 | DrVaitkus | 04 March 2021, 06:32:24 UTC | Working on examples for the pole tester. | 04 March 2021, 06:32:24 UTC |
| 61bd9ca | Jesse | 03 March 2021, 06:23:35 UTC | Written example that evaluates the density derivative using pole summation in poletest2. Requires numerically integrated comparison. poletest shows pole configurations and their magnitude in 3D. | 03 March 2021, 06:23:35 UTC |
| a2f422d | Jesse | 03 March 2021, 04:51:57 UTC | Pole generation and placement working, need to test residues by making example evaluation. | 03 March 2021, 04:51:57 UTC |
| 6619570 | Jesse | 03 March 2021, 03:46:50 UTC | First version of pole finite difference written, initiating tests. | 03 March 2021, 03:46:50 UTC |
| 030fdaf | Jesse | 01 March 2021, 08:18:36 UTC | Added basic skeleton for pole finite differences code. | 01 March 2021, 08:18:36 UTC |
| 576de8a | Jesse | 01 March 2021, 07:14:18 UTC | Added basic skeleton for pole code. | 01 March 2021, 07:14:18 UTC |
| 5cfba6f | Jesse | 01 March 2021, 06:18:28 UTC | Adding in initial documentation for the Areshkin-Nikolic pole summation method. | 01 March 2021, 06:18:28 UTC |
| 3523c45 | DrVaitkus | 26 February 2021, 03:44:12 UTC | Updating prototype examples to more what I was looking for, and removing some of the obsolete functions like np.complex to complex. | 26 February 2021, 03:44:12 UTC |
| 87f5fae | DrVaitkus | 21 February 2021, 04:51:30 UTC | Changed multiple dot instances to use numpy's internal multi_dot tool. Removed deprecated np.complex and replaced with complex as suggested by code analyzer. | 21 February 2021, 04:51:30 UTC |
| 67dfe44 | Mykhailo Klymenko | 06 November 2020, 04:29:18 UTC | Update README.md | 06 November 2020, 04:29:18 UTC |
| 525b328 | Mykhailo Klymenko | 04 November 2020, 08:07:45 UTC | Update README.md | 04 November 2020, 08:07:45 UTC |
| 6d7985e | Mykhailo Klymenko | 04 November 2020, 08:06:12 UTC | Update README.md | 04 November 2020, 08:06:12 UTC |
| 5f00e29 | Mykhailo Klymenko | 04 November 2020, 07:05:48 UTC | Merge pull request #92 from freude/self_energies Self energies | 04 November 2020, 07:05:48 UTC |
| 09494fe | Mykhailo Klymenko | 04 November 2020, 07:01:18 UTC | Update test_greens_functions.py | 04 November 2020, 07:01:18 UTC |
| a7d1061 | Mykhailo Klymenko | 04 November 2020, 06:51:27 UTC | Update test_greens_functions.py | 04 November 2020, 06:51:27 UTC |
| fc50389 | Mykhailo Klymenko | 04 November 2020, 06:38:34 UTC | Merge pull request #91 from DrVaitkus/self_energies Added Sancho-Rubio, cleaned damp/posinf conflict | 04 November 2020, 06:38:34 UTC |
| e2aee9d | Jesse | 04 November 2020, 05:48:17 UTC | Added Sancho-Rubio, cleaned damp/posinf conflict Added Sancho-Rubio method of computing green's functions, changed posinf to damp to reflect the other algorithm's nomenclature, updated test to use all three methods, cleaned up white space | 04 November 2020, 05:48:17 UTC |
| 089cccf | Mykhailo Klymenko | 04 November 2020, 02:37:04 UTC | Merge pull request #90 from freude/self_energies Self energies | 04 November 2020, 02:37:04 UTC |
| 8f16200 | freude | 04 November 2020, 02:34:42 UTC | fixed example | 04 November 2020, 02:34:42 UTC |
| 7bffa9c | freude | 03 November 2020, 14:45:43 UTC | added new self-energy function | 03 November 2020, 14:45:43 UTC |
