Entropic Trajectories

This is the Entropic Trajectories library which is a framework for solving many-body quantum systems. For a the full technical documentation see ... For various papers using the ET framework see ...

Prerequisites

The Entropic Trajectories Framework uses many existing packages under the hood. These include the BLAS and LAPACK libraries, which must be installed before cloning this repository. BLAS and LAPACK can be found at,

BLAS (Basic Linear Algebra Subprograms); http://www.netlib.org/blas/
LAPACK (Linear Algebra PACKage); http://www.netlib.org/lapack/
LAPACKe (C wrapper for LAPACK); https://www.netlib.org/lapack/lapacke.html
Linux installation

Make sure that you have the python development environment installed,
```
$ sudo apt-get install python3-dev
```
You will also need a suitable version of CMake and GCC,
```
$ sudo apt-get install cmake
$ sudo apt-get install gcc
```
To install BLAS and LAPACK (LAPACKe) on Ubuntu simply run the following command in the terminal,
```
$ sudo apt-get install libblas-dev checkinstall
$ sudo apt-get install libblas-doc checkinstall
$ sudo apt-get install liblapacke-dev checkinstall
$ sudo apt-get install liblapack-doc checkinstall
$ sudo apt-get instlal libopenblas-dev checkinstall
```
OpenBLAS is also needed for some of the methods included in CBLAS. Other distributions can likely issue a similar command with different package managers (See https://distrowatch.com/dwres.php?resource=package-management for a list of common ones). You will also need a fortran compiler if you don't already have one,
```
$ sudo apt-get install gfortran
```
Again, other distributions will use a similar command with a different package manager.

Windows

Pybind11

The ET framework uses a python wrapper called pybind11 in order to generate python bindings.

Pybind11; https://github.com/pybind/pybind11 (Wenzel Jakob) Pybind is compiled together with the ET framework, so one only needs to extract the source files into the include directory. This is done automatically via a submodule.

TODO:

Installing from PyPI

For 64-bit Linux or Mac systems, instally 'etraj' should just require running:

pip install etraj

You can then test that it works by running the example above.

Installing from source

Requirements: You must have CMake>=2.8.12 and a C++11 compatible compiler (GCC>=4.8) to build.

First, you must check out this repository using the recursive command in order to download the latest versions of the included libraries as well,

$ git clone --recurse-submodules git@github.com:infophysics/EntropicTrajectories.git

If the recursive command failed, you can download the main files and simply update the submodules using,

$ git clone git@github.com:infophysics/EntropicTrajectories.git
$ git submodule init
$ git submodule update

Then, once all of the submodules are there, simply run the installer,

$ python setup.py install

Usage

Python bindings to the Entropic Trajectories library:

import etraj

For more examples on possible calls, please see the tests folder.

Support

Bugs: Please report bugs to the issue tracker on Github such that we can keep track of them and eventually fix them. Please explain how to reproduce the issue (including code) and which system you are running on.
Help: Help can be provided also via the issue tracker by tagging your issue with 'question'
Contributing: Please fork this repository then make a pull request. In this pull request, explain the details of your change and include tests.

Technical implementation

Implementation also based on this

See AUTHORS.md for information on the developers.

Citation

When you use etraj, please say so in your slides or publications (for publications, see Zenodo link above). You can mention this in addition to how you cite EntropicTrajectories. This is important for us being able to get funding to support this project.

infophysics / EntropicTrajectories

readme