Commit 61ae00b9 authored by Rafal Skolasinski's avatar Rafal Skolasinski

update README

parent 2bf51fe6
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Note: this is work in progress, comments and ideas are more than welcomed!
The goal of this package is to provide easy to use framwerok for performing k·p simulations.
There will be two main components of this framework: parameters and models.
This package is suppose to remove an overhead and a boiler plate that appears when doing the k·p simulations.
It is suppose to make things easier, therefore userfriendly interface is a priority.
......@@ -18,7 +17,7 @@ Users should be able to choose which components (Zeeman, Dresselhaus, strain, ..
# Parameters
Parameters bank should include most common semiconducting materials.
Helper functions should handle parameter renormalization based on included bands and way to avoid spurious solutions.
Helper methods should handle parameter renormalization based on included bands and way to avoid spurious solutions.
# Helper functions
......@@ -29,20 +28,42 @@ However, building the actual Kwant system and peforming the simulation should be
# Requirements
* This package is suppose to work with latest stable release of Kwant.
* This package will require [SciPy 1.2](https://github.com/scipy/scipy/milestone/36) that is scheduled to be released in November 2018.
This is due to usage of [scipy.spatial.transform.Rotation](https://scipy.github.io/devdocs/generated/scipy.spatial.transform.Rotation.html#scipy.spatial.transform.Rotation) to find the rotation vector of a given rotation matrix.
* Because project is based on discretizer sympy is required, however, due to compatibility [issue](https://gitlab.kwant-project.org/kwant/kwant/issues/225) it must be in version lower than 1.2
* This package is suppose to work with latest stable release of ``Kwant``.
* This package depends on recently released ``SciPy 1.2`` for some of its optional functionality. It will work with earlier release but appropriate warning will be rendered.
* Because project is based on discretizer sympy is required, however, due to compatibility [issue](https://gitlab.kwant-project.org/kwant/kwant/issues/225) it must be in version lower than 1.2. For now on the recommended version is 1.1.1.
# Installation
# Installation (from pip into conda environment)
The easiest way to install ``semicon`` is to create fresh conda environment
conda env create --name semicon kwant=1.3.3 sympy=1.1.1
and install ``semicon`` using ``pip``
conda activate semicon
pip install semicon
to test your installation do
python -c 'import semicon; semicon.test()'
Optionally, install Scipy 1.2 to benefit from ``rotation`` functionality.
pip install scipy==1.2
# Building from sources
As this package is pure python standard python installation from sources with
```
python setup.py build
python setup.py install
```
should be working without problems.
The only non-trivial dependency, Kwant, that could cause problemS if not installed beforehand can be either obtained via ``conda`` or any other installation means explained on its [homepage](https://kwant-project.org/).
The only non-trivial dependency, Kwant, that could cause problems if not installed beforehand can be either obtained via ``conda`` or any other installation means explained on its [homepage](https://kwant-project.org/).
Direct installation from git is also possible (and favoured as long as conda
package is not out there):
......@@ -53,7 +74,7 @@ pip install git+https://gitlab.kwant-project.org/semicon/semicon.git
Note that due to active development master branch may not be stable.
To install version that has been already used in research project use
```
pip install git+https://gitlab.kwant-project.org/semicon/semicon.git@v0.1.0
pip install git+https://gitlab.kwant-project.org/semicon/semicon.git@v0.2.0
```
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