kwant issueshttps://gitlab.kwant-project.org/kwant/kwant/-/issues2020-10-22T09:03:10Zhttps://gitlab.kwant-project.org/kwant/kwant/-/issues/192Simplify plotting tutorial2020-10-22T09:03:10ZAnton AkhmerovSimplify plotting tutorialAfter !162 we color sites by site family by default. This makes parts of the plotting tutorial look weird :smiley: :
> Hey by default Kwant system looks boring like this
> ![image](/uploads/6c4939865caa02eda80c339be6f77f87/image.png)
...After !162 we color sites by site family by default. This makes parts of the plotting tutorial look weird :smiley: :
> Hey by default Kwant system looks boring like this
> ![image](/uploads/6c4939865caa02eda80c339be6f77f87/image.png)
> ...but if we provide a couple of extra options we get this exciting plot which is much easier to understand:
> ![image](/uploads/c65e6851c0df89d2b9df58069a3830b6/image.png)
I think we should remove the duplicate parts of the tutorial (also important for plotting of 3D systems).Kwant 1.4.xhttps://gitlab.kwant-project.org/kwant/kwant/-/issues/234Improve html representation of discretizer's builders2019-11-28T14:39:32ZAnton AkhmerovImprove html representation of discretizer's buildersHere is what we have now (as of v1.4.0a1):
![image](/uploads/b4f8ed42c49384a463b71d57586befe7/image.png)
Several improvements come to mind:
- It's already an html representation, we could sparingly apply a couple of tags
- We should me...Here is what we have now (as of v1.4.0a1):
![image](/uploads/b4f8ed42c49384a463b71d57586befe7/image.png)
Several improvements come to mind:
- It's already an html representation, we could sparingly apply a couple of tags
- We should mention that this is a template builder produced by discretization
- We should hide the internal names and expose the parameters that this builder expects, as well as the number of d.o.f.Kwant 1.4.xhttps://gitlab.kwant-project.org/kwant/kwant/-/issues/391Profiling of Cython cdef functions is enabled permanently2020-10-22T08:57:46ZChristoph GrothProfiling of Cython cdef functions is enabled permanentlyOur `setup.py` enables Cython's "[linetrace](https://cython.readthedocs.io/en/latest/src/tutorial/profiling_tutorial.html#enabling-line-tracing)" directive. This does not yet enable line tracing (doing so requires defining the C macro `...Our `setup.py` enables Cython's "[linetrace](https://cython.readthedocs.io/en/latest/src/tutorial/profiling_tutorial.html#enabling-line-tracing)" directive. This does not yet enable line tracing (doing so requires defining the C macro `CYTHON_TRACE`), but it has the unwelcome effect of permanently enabling Cython's support for profiling. At least in some cases (for example automatic magnetic gauge computations) this seriously degrades performance.
This issue was introduced by 10faf93a16bee7c596283d97bb31a85b48304ea9. Any fix should preserve the ability to enable line tracing (and profiling) through the `build.conf` file.
See also the [related mailing list discussion](https://mail.python.org/archives/list/kwant-discuss@python.org/message/24VUFSFR3637U72I2QK333JYZNOD5NJS/).Kwant 1.4.xhttps://gitlab.kwant-project.org/kwant/kwant/-/issues/350Release 1.4.22020-09-03T16:26:12ZAnton AkhmerovRelease 1.4.2# Release %v1.4.2
This is a checklist based on the [release document](RELEASE.rst); consult it for more details.
## Preflight checks
- [x] All the issues from this milestone are resolved
- [x] Ensure that tests pass (either on [stable...# Release %v1.4.2
This is a checklist based on the [release document](RELEASE.rst); consult it for more details.
## Preflight checks
- [x] All the issues from this milestone are resolved
- [x] Ensure that tests pass (either on [stable](https://gitlab.kwant-project.org/kwant/kwant/tree/stable) or on [master](https://gitlab.kwant-project.org/kwant/kwant/tree/master) branch)
- [x] Documentation looks correct https://test.kwant-project.org/doc/<branch name>
- [x] [Whatnew](doc/source/pre/whatsnew) is up to date
- [x] `AUTHORS.rst` and `.mailmap` are up to date (run `git shortlog -s | sed -e "s/^ *[0-9\t ]*//"| xargs -i sh -c 'grep -q "{}" AUTHORS.rst || echo "{}"'`)
## Make a release, but do not publish it yet
- [x] Tag the release
- [x] Build the source tarball and inspect it
- [x] Build the documentation
## Test packaging
These steps may be done in parallel
### Debian
- [x] Follow the steps for building the Debian packages from [RELEASE.rst](RELEASE.rst)
### Conda
- [x] Publish the release candidate source tarball "somewhere on the internet" (SOTI)
- [x] open a PR to the [conda-forge/kwant-feedstock](https://github.com/conda-forge/kwant-feedstock/) repo on Github. Make sure to mark the PR as WIP so that it doesn't get merged in accidentally
- [x] set the upstream tarball URL (in meta.yaml) to SOTI
- [x] update the tarball hash in meta.yaml
- [x] See if the package builds
## Publish the release
- [x] push the tag
- [x] upload the source tarball to PyPI
- [x] upload the source tarball to the Kwant website
- [x] publish the debian packages
- [x] publish the ubuntu packages
- [x] create a new version of the Kwant conda-forge feedstock, and open a pull request to upstream
- [ ] upload the documentation to the Kwant websiteKwant 1.4.xhttps://gitlab.kwant-project.org/kwant/kwant/-/issues/278update RELEASE.rst to allow a more parallel workflow2019-02-17T09:57:01ZJoseph Westonupdate RELEASE.rst to allow a more parallel workflowThis issue will contain observations about the release process (as experienced when releasing 1.4) and proposals for how to improve the workflowThis issue will contain observations about the release process (as experienced when releasing 1.4) and proposals for how to improve the workflowKwant 1.4.xhttps://gitlab.kwant-project.org/kwant/kwant/-/issues/277add zenodo to documentation2019-03-01T16:37:01ZAnton Akhmerovadd zenodo to documentationI can think of two places:
- RELEASE.rst
- Citing (needs a discussion of how to describe it)I can think of two places:
- RELEASE.rst
- Citing (needs a discussion of how to describe it)Kwant 1.4.xhttps://gitlab.kwant-project.org/kwant/kwant/-/issues/215hoppings due to Rashba term in Kwant tutorial 2.32019-07-22T12:38:06ZLin Wanghoppings due to Rashba term in Kwant tutorial 2.3Hamiltonian:
```math
H =-\frac{\hbar^2}{2m}(\partial^2_x + \partial^2_y) - i \alpha(\partial_x \sigma_y - \partial_y \sigma_x) + E_Z \sigma_z + V(y)
```
I take hoppings due to Rashba term along x direction for example.
```python
syst[...Hamiltonian:
```math
H =-\frac{\hbar^2}{2m}(\partial^2_x + \partial^2_y) - i \alpha(\partial_x \sigma_y - \partial_y \sigma_x) + E_Z \sigma_z + V(y)
```
I take hoppings due to Rashba term along x direction for example.
```python
syst[kwant.builder.HoppingKind((1, 0), lat, lat)] = \
-t * sigma_0 + 1j * alpha * sigma_y / 2
```
Note that `+ 1j * alpha * sigma_y / 2` should change to `- 1j * alpha * sigma_y / 2`. Things are similar for
hoppings along y direction.Kwant 1.4.xhttps://gitlab.kwant-project.org/kwant/kwant/-/issues/152Improve treatment of value functions in the tutorial2020-10-22T09:08:38ZChristoph GrothImprove treatment of value functions in the tutorialIn the Kwant tutorial value functions are introduced in the section "Spatially dependent values through functions" of "More interesting systems: spin, potential, shape". The first presentation is without parameters and the (equally impo...In the Kwant tutorial value functions are introduced in the section "Spatially dependent values through functions" of "More interesting systems: spin, potential, shape". The first presentation is without parameters and the (equally important) use as system-wide parameters is quite hidden. I suggest to rename the section to "Using function as builder values" and explain both usages on equal footing.
Also, we should switch the complete tutorial from args to params.Kwant 1.4.xhttps://gitlab.kwant-project.org/kwant/kwant/-/issues/151List the Kwant features that are highlighted in each tutorial text2020-10-22T09:08:12ZChristoph GrothList the Kwant features that are highlighted in each tutorial textI was explaining to someone how value functions in Kwant work, and wanted to refer him to the tutorial. it was not immediately clear to me which tutorial first covers value functions. By grepping the tutorial scripts for "args" I found...I was explaining to someone how value functions in Kwant work, and wanted to refer him to the tutorial. it was not immediately clear to me which tutorial first covers value functions. By grepping the tutorial scripts for "args" I found out that it's the chapter "More interesting systems: spin, potential, shape". I think it's good to have such physical titles, but we should also clearly list which Kwant features are highlighted. This information is actually present, but it's hidden in the example scripts themselves. I think that it should be moved into the tutorials. We could show it after the section titles.Kwant 1.4.x