| 8934afd | Nick Papior | 09 February 2022, 08:32:04 UTC | bld: bumped version | 09 February 2022, 08:32:04 UTC |
| f8a6310 | Nick Papior | 08 February 2022, 14:14:00 UTC | ci: added 3.10 as testing | 08 February 2022, 14:14:00 UTC |
| 035759a | Nick Papior | 08 February 2022, 12:33:44 UTC | bug: fixed import error | 08 February 2022, 12:33:44 UTC |
| 7d25f71 | Nick Papior | 08 February 2022, 11:46:26 UTC | doc: cleaned up readme | 08 February 2022, 11:46:26 UTC |
| 30dcec9 | Nick Papior | 08 February 2022, 08:29:01 UTC | ci: for now disabling testpypi | 08 February 2022, 08:29:01 UTC |
| 7758f05 | Nick Papior | 08 February 2022, 07:55:56 UTC | ci: fixed again | 08 February 2022, 07:55:56 UTC |
| 6c55aca | Nick Papior | 08 February 2022, 07:55:00 UTC | Revert "ci: forgot to remove variable" This reverts commit ed584aeb4780b83e1be61b7813722ea79ff66a3a. | 08 February 2022, 07:55:00 UTC |
| a51b7cc | Nick Papior | 08 February 2022, 07:49:45 UTC | ci: fixed | 08 February 2022, 07:49:45 UTC |
| 7406645 | Nick Papior | 08 February 2022, 07:49:05 UTC | ci: fixed if | 08 February 2022, 07:49:05 UTC |
| ed584ae | Nick Papior | 08 February 2022, 07:47:45 UTC | ci: forgot to remove variable | 08 February 2022, 07:47:45 UTC |
| f795b6f | Nick Papior | 08 February 2022, 07:46:21 UTC | ci: could not use conditional in matrix | 08 February 2022, 07:46:21 UTC |
| 8347f5b | Pol Febrer | 08 February 2022, 03:41:04 UTC | maint: fixed grid display in blender | 08 February 2022, 07:23:02 UTC |
| eb0fba3 | Pol Febrer | 08 February 2022, 02:45:57 UTC | docs: explaining how to get a volumetric display | 08 February 2022, 07:23:02 UTC |
| cef4170 | Nick Papior | 08 February 2022, 07:21:59 UTC | bug: fixed missing import method | 08 February 2022, 07:21:59 UTC |
| 8353284 | Nick Papior | 07 February 2022, 21:12:51 UTC | ci: trying to fix wheel creation | 07 February 2022, 21:12:51 UTC |
| a155e6f | Pol Febrer | 07 February 2022, 19:09:11 UTC | bug: multiple calls to get_plotables were interfering | 07 February 2022, 19:41:11 UTC |
| 2eb410b | Nick Papior | 07 February 2022, 19:39:51 UTC | ci: trying to fix version and non-tag | 07 February 2022, 19:39:51 UTC |
| 612bdc0 | Nick Papior | 07 February 2022, 14:01:37 UTC | ci: trying to add order | 07 February 2022, 14:01:37 UTC |
| 431e1e5 | Nick Papior | 06 February 2022, 20:45:36 UTC | bug: fixed pytest.approx test | 06 February 2022, 20:45:36 UTC |
| 625fd68 | Pol Febrer | 05 February 2022, 23:10:24 UTC | bug: fixed plotting fdfs from Plot | 06 February 2022, 07:28:09 UTC |
| 53ef435 | Nick Papior | 03 February 2022, 21:49:02 UTC | bug: fixed env specification | 03 February 2022, 21:49:02 UTC |
| ef6ce2f | Nick Papior | 03 February 2022, 21:47:57 UTC | bug: fixed indentation | 03 February 2022, 21:47:57 UTC |
| d3c1b41 | Nick Papior | 03 February 2022, 21:46:44 UTC | ci: trying to force tests for testpypi | 03 February 2022, 21:46:44 UTC |
| c964991 | Nick Papior | 03 February 2022, 14:39:31 UTC | build: removed not needed argument for setup.py | 03 February 2022, 14:39:31 UTC |
| 7893e34 | Nick Papior | 03 February 2022, 13:03:20 UTC | doc: updated changelog | 03 February 2022, 13:03:20 UTC |
| e72de16 | Nick Papior | 03 February 2022, 12:37:11 UTC | mnt: cleaned workflow files | 03 February 2022, 12:37:11 UTC |
| 686426b | Nick Papior | 03 February 2022, 12:23:37 UTC | mnt: fixed test for description | 03 February 2022, 12:23:37 UTC |
| 4014ca2 | Nick Papior | 03 February 2022, 11:57:15 UTC | bug: fixed tab in yaml | 03 February 2022, 11:57:15 UTC |
| 3f8eb9b | Nick Papior | 03 February 2022, 11:54:39 UTC | Merge branch 'actions_wheels' into main | 03 February 2022, 11:54:39 UTC |
| a847467 | Nick Papior | 03 February 2022, 11:54:34 UTC | mnt: minor clean-ups here and there | 03 February 2022, 11:54:34 UTC |
| 80777e2 | Nick Papior | 03 February 2022, 11:32:09 UTC | ci: renamed CI's | 03 February 2022, 11:32:09 UTC |
| 38ecd6f | Nick Papior | 03 February 2022, 11:29:59 UTC | enh: PDOS files are now much easierly handled with more options A normalization argument has been added, equivalent to the tbt.norm. Added descriptions to saved files from PDOS. Also ensure that argument parsers inherit the description as specified for the objects ArgumentParser method, this enables one to create specific detailed documentation of the cli. | 03 February 2022, 11:29:59 UTC |
| 167deb5 | Nick Papior | 01 February 2022, 20:15:27 UTC | Merge branch 'requirements' into main | 01 February 2022, 20:15:27 UTC |
| 241264a | Nick Papior | 01 February 2022, 20:15:20 UTC | build: added clarification of problem | 01 February 2022, 20:15:20 UTC |
| ada5229 | Pol Febrer | 01 February 2022, 17:26:52 UTC | enh: github workflow to build wheels | 01 February 2022, 17:26:52 UTC |
| 0ffce8b | Pol Febrer | 01 February 2022, 17:14:06 UTC | maint: fixed conditional numpy versions | 01 February 2022, 17:14:06 UTC |
| bd20a1c | Nick Papior | 01 February 2022, 11:36:04 UTC | build: fixed configuration file requirements | 01 February 2022, 11:36:04 UTC |
| 33c1456 | Nick Papior | 01 February 2022, 11:30:56 UTC | build: moved all dependency handlings to configuration files | 01 February 2022, 11:30:56 UTC |
| 9cf98aa | Nick Papior | 01 February 2022, 11:04:50 UTC | test: fixed xfail run | 01 February 2022, 11:04:50 UTC |
| 5fab9be | Nick Papior | 01 February 2022, 10:35:39 UTC | test: final xfail mark | 01 February 2022, 10:35:39 UTC |
| ab6566a | Nick Papior | 01 February 2022, 09:39:30 UTC | test: final fixes for opening/closing files | 01 February 2022, 09:39:30 UTC |
| bfa82e7 | Nick Papior | 01 February 2022, 09:02:40 UTC | test: wrong test xfail | 01 February 2022, 09:02:40 UTC |
| 7a590de | Nick Papior | 01 February 2022, 07:26:14 UTC | test: ensured nc closes and xfails for windows and mac Nearly all SileCDF are now closed, and they should ensure clean-ups of the tests. xfails has been setup for windows and mac. They should be marked as such because it is something that might require fixes. | 01 February 2022, 07:26:14 UTC |
| 2ddd035 | Nick Papior | 31 January 2022, 21:28:02 UTC | test: removing tests that are known to fail on platforms Mac and Windows has some corner cases that breaks tests. This should fix most, if not all tests. | 31 January 2022, 21:28:02 UTC |
| 62ad1b4 | Nick Papior | 31 January 2022, 21:13:25 UTC | Merge branch 'dependencies' into main | 31 January 2022, 21:13:25 UTC |
| 2001986 | Nick Papior | 31 January 2022, 21:13:16 UTC | mnt: updated setup.cfg and setup.py for more options | 31 January 2022, 21:13:16 UTC |
| dde7d64 | Nick Papior | 31 January 2022, 21:04:12 UTC | mnt: enabled reading fermi-level from PDOS files | 31 January 2022, 21:04:12 UTC |
| 247220b | Pol Febrer | 31 January 2022, 19:04:43 UTC | bug: avoid wrapping static and class methods in viz | 31 January 2022, 19:50:42 UTC |
| 945ed43 | Pol Febrer | 31 January 2022, 18:03:52 UTC | bug: dependencies not installed on pip install | 31 January 2022, 18:03:52 UTC |
| 1fd0f33 | Nick Papior | 31 January 2022, 11:24:57 UTC | bug: fixed mac-os in viz | 31 January 2022, 11:24:57 UTC |
| 70d108c | Nick Papior | 30 January 2022, 20:59:22 UTC | bug: fixed mac builds | 30 January 2022, 20:59:22 UTC |
| 70bf53f | Nick Papior | 28 January 2022, 14:21:31 UTC | mnt: updated deploy document | 28 January 2022, 14:21:31 UTC |
| 9e7cc11 | Nick Papior | 28 January 2022, 13:14:48 UTC | mnt: bumped release numbers | 28 January 2022, 13:14:48 UTC |
| fa468bf | Nick Papior | 28 January 2022, 13:08:10 UTC | bug: fixed argument order in nanoribbon It was not consistent across the different ribbon creation routines. Now they are. | 28 January 2022, 13:08:10 UTC |
| 818e90f | Nick Papior | 28 January 2022, 12:55:51 UTC | mnt: added warning for the conductivity calculations | 28 January 2022, 12:55:51 UTC |
| 421b103 | Nick Papior | 17 January 2022, 09:34:46 UTC | mnt: bumped Python requirement This allows namedtuples with defaults and also aligns with numpy requirements. | 28 January 2022, 12:52:52 UTC |
| d9ac3bf | Pol Febrer | 21 January 2022, 23:42:36 UTC | maint: allow Session shortcuts to play nicely with the GUI | 28 January 2022, 12:51:33 UTC |
| 226ac7a | Nick Papior | 28 January 2022, 12:51:17 UTC | mnt: small changes in the distribution dev code | 28 January 2022, 12:51:17 UTC |
| 33ad2f9 | Nick Papior | 24 January 2022, 12:31:02 UTC | doc: added more documentation for the ipr Limited ipr to only q>=2, otherwise it will always return 1. | 24 January 2022, 12:31:02 UTC |
| a8efd77 | Nick Papior | 20 January 2022, 13:56:54 UTC | doc: added link to berry stuff and fixed fdf | 20 January 2022, 13:56:54 UTC |
| 652e043 | Nick Papior | 18 January 2022, 14:07:16 UTC | doc: cleaned documentation for the velocity, effective_mass Their connection with the derivative method is now much more understandable. | 18 January 2022, 14:09:01 UTC |
| 665d8de | Nick Papior | 18 January 2022, 14:06:38 UTC | mnt: added changelog.py creation for releases This enables easy extraction of data for publishing new releases | 18 January 2022, 14:09:01 UTC |
| 0c14c97 | Nick Papior | 18 January 2022, 13:53:49 UTC | doc: ensured mailmaps are enabled in shortlogs | 18 January 2022, 14:09:01 UTC |
| b051191 | Pol Febrer | 14 January 2022, 23:17:12 UTC | enh: allow bond styling in GeometryPlot This commit only introduces the possibility to provide one style for all bonds. Future implementations will allow to provide per-bond styling, which is already supported internally. When per-bond styling is introduced it will use the same setting, so it will be completely backwards compatible. | 15 January 2022, 08:09:04 UTC |
| d0c640d | Nick Papior | 14 January 2022, 12:37:21 UTC | enh: enabled SVD calculation of the berry_phase The berry-phase calculation was previously done for the simple dot-product. However, in certain cases one may envision the use of SVD as a more reliable way to do the dot-products. Also ensured that the returned values are not forced into the range ]-pi;pi] by np.angle. Now the user will have to process these. | 14 January 2022, 12:37:21 UTC |
| 06762b8 | Nick Papior | 12 January 2022, 22:24:59 UTC | mnt: ensured parametrize always returns a BrillouinZone It cannot do BandStructure, or others. | 12 January 2022, 22:24:59 UTC |
| ad47584 | Nick Papior | 11 January 2022, 13:23:49 UTC | mnt: removed cell argument in Geometry.sub Users should do geometry.set_supercell for clarity. The argument was not present in remove which made them disjoint. | 11 January 2022, 13:23:49 UTC |
| 25564ae | Nick Papior | 11 January 2022, 12:57:11 UTC | enh: enabled multiple orbs in sub_orbital I think now we can encompass all cases. | 11 January 2022, 12:57:11 UTC |
| b2ff2fc | Nick Papior | 11 January 2022, 08:25:25 UTC | enh: allowed comparing orbitals with str | 11 January 2022, 08:25:25 UTC |
| c5ed39b | Nick Papior | 11 January 2022, 08:25:14 UTC | enh: added sub_orbital and remove_orbital to Geometry All we need is to make the SparseGeometry use these instead, that would clean the code a bit. | 11 January 2022, 08:25:14 UTC |
| aa68f6a | Pol Febrer | 10 January 2022, 19:25:22 UTC | tests: test CHGCAR plot in GridPlot | 10 January 2022, 20:07:45 UTC |
| e5b724e | Pol Febrer | 10 January 2022, 19:12:36 UTC | bug: fixed bug in cartesian cell check at GridPlot | 10 January 2022, 20:07:45 UTC |
| 18158ec | Nick Papior | 07 January 2022, 14:29:31 UTC | mnt: converted the conductivity calculation to S/cm^D units This should be more familiar to end-users. | 07 January 2022, 14:29:31 UTC |
| 78981ae | Nick Papior | 07 January 2022, 14:08:45 UTC | mnt: enabled crt_dim to return the dimension This is mainly for consistency in the method usage. The dimension object cannot really be used, but it might be used, if needed. | 07 January 2022, 14:08:45 UTC |
| 73c8aaa | Nick Papior | 07 January 2022, 14:06:47 UTC | enh: added BrillouinZone.volume This enables one to extract the volume of the BZ integrals. For the conductivity calculations the BZ.volume is integrated to average out size-effects. Added tests for this. | 07 January 2022, 14:06:47 UTC |
| 0c39ae8 | Nick Papior | 07 January 2022, 09:52:10 UTC | mnt: allowed SOC as spin argument | 07 January 2022, 09:53:36 UTC |
| c96a319 | Nick Papior | 07 January 2022, 08:52:04 UTC | bug: ensured Lowdin before sub This might be important for disentangling the states. | 07 January 2022, 08:52:04 UTC |
| 3cc8c25 | Nick Papior | 07 January 2022, 07:21:54 UTC | doc: trying to fix rtfd | 07 January 2022, 07:21:54 UTC |
| 017ffd1 | Nick Papior | 07 January 2022, 07:05:09 UTC | doc: fixed links to codecov and build-status | 07 January 2022, 07:05:09 UTC |
| 985103e | Nick Papior | 07 January 2022, 05:34:15 UTC | mnt: fixed branch names in README | 07 January 2022, 05:34:15 UTC |
| d990491 | Nick Papior | 06 January 2022, 21:23:49 UTC | test: accessing GITHUB_WORKSPACE cannot be done One needs to use the github actions context | 06 January 2022, 21:23:49 UTC |
| 722f519 | Nick Papior | 06 January 2022, 14:48:57 UTC | test: fixed env | 06 January 2022, 14:48:57 UTC |
| ead2550 | Nick Papior | 06 January 2022, 14:32:29 UTC | test: trying out the new test path | 06 January 2022, 14:32:29 UTC |
| 73b2e7a | Nick Papior | 06 January 2022, 14:11:10 UTC | test: tracking | 06 January 2022, 14:11:10 UTC |
| db72ee7 | Nick Papior | 06 January 2022, 13:54:38 UTC | test: trying to fix files folder | 06 January 2022, 13:54:38 UTC |
| d8f3cdf | Nick Papior | 06 January 2022, 13:29:18 UTC | test: again trying to fix coverage upload | 06 January 2022, 13:29:18 UTC |
| 7ae257f | Nick Papior | 06 January 2022, 12:56:40 UTC | test: trying to fix coverage upload | 06 January 2022, 12:56:40 UTC |
| a7d8fd4 | Nick Papior | 06 January 2022, 12:22:56 UTC | build: fixed namespace package | 06 January 2022, 12:22:56 UTC |
| e0facfe | Nick Papior | 06 January 2022, 11:19:54 UTC | test: trying to speed up builds Setting CFLAGS=-Og should speed up compilation. | 06 January 2022, 11:19:54 UTC |
| 9b198b5 | Nick Papior | 06 January 2022, 11:18:46 UTC | test: renamed test target | 06 January 2022, 11:18:46 UTC |
| a6d8fcb | Nick Papior | 06 January 2022, 11:11:40 UTC | build: removed continuation lines | 06 January 2022, 11:11:40 UTC |
| 93f1bcf | Nick Papior | 06 January 2022, 11:09:50 UTC | build: fixed crontab | 06 January 2022, 11:09:50 UTC |
| b573610 | Nick Papior | 06 January 2022, 11:08:10 UTC | build: enhanced building and moved toolbox to namespace Cleaned lots of stuff that should enable testing coverage. | 06 January 2022, 11:08:10 UTC |
| 94ff456 | Nick Papior | 06 January 2022, 07:23:43 UTC | mnt: removed codacy settings (not used) | 06 January 2022, 07:23:43 UTC |
| 6c0e1e9 | Nick Papior | 06 January 2022, 07:17:24 UTC | test: run the build-tests every 4 days | 06 January 2022, 07:17:24 UTC |
| 2cc1c40 | Nick Papior | 06 January 2022, 07:12:48 UTC | test: fixed codecov | 06 January 2022, 07:12:48 UTC |
| fcf66b8 | Nick Papior | 05 January 2022, 22:32:36 UTC | test: trying to bypass pip problem | 05 January 2022, 22:32:36 UTC |
| 0d8e030 | Nick Papior | 05 January 2022, 21:21:16 UTC | test: fixed spelling mistake | 05 January 2022, 21:21:16 UTC |
| 1cfef5a | Nick Papior | 05 January 2022, 13:16:33 UTC | test: added correct requirements | 05 January 2022, 13:16:33 UTC |
| bdc3307 | Nick Papior | 05 January 2022, 13:15:00 UTC | doc: fixed build_docs.sh script for gh-pages changes | 05 January 2022, 13:15:00 UTC |
