Nick Papior

Commonly used tight-binding models

9

**Describe the feature** A suite of tight-binding models typically used for testing and general purpose, lets first compose a list of useful tight-binding models: - [x] graphene, possible arguments should...

Change distribution functions for class structures

2

**Describe the feature** Distribution functions may be required in 3 different forms: - delta variants (normal distribution, Cauchy distribution) - theta variants (Fermi-Dirac distribution) - integrated $ \int_{-\infty}^x y \delta(y)...

In general, an eigenstate iterator may be interesting(?) Then the code could be generalized and the only thing to change between reading from different sources would be the generator. ```python...

Convert `sc` to `cell`

1

This fixes #95

Siesta read wfs and wfsx files

11

**Describe the feature** Title says it all. Probably this should only be in fdf since then we can read the Hamiltonian and associate it simultaneously with the gauge.

**Describe the feature** Create a common md loop structure in out sile, and parse...

Change categories for general purpose

2

**Describe the feature** Currently the Categories used for geometries are limited in use. @tfrederiksen initial idea in #202 spawned this whole category stuff. Now the problem with the categories is...

Plotting/GUI CLI should they be separate or combined?

32

We need to figure out whether we need two CLI for plotting and for GUI handling. I am starting to more advocate one CLI for both. ```bash sgui ase sgui...

Change topyamg to tolinearsystem

1

**Describe the feature** This might be more appropriate since `pyamg` shouldn't require any special format of the input matrix. So better do it like this to make it compatible with...

Comparison with Denchar and sisl

8

**Describe the feature** Now Denchar allows spin-orbit calculations which means that we can now compare the two! It would be really nice to actually do this comparison and possibly create...