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https://github.com/josefkaufmann/ana_cont

Package for analytic continuation of many-body Green's functions
https://github.com/josefkaufmann/ana_cont

analytical-continuation maximum-entropy pade-approximation

Last synced: 4 months ago
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Package for analytic continuation of many-body Green's functions

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README 

        
ana_cont: Python package for analytic continuation

==================================================



Update: Documentation and resources can be found on ``_.



Any questions, suggestions and bug reports will be received gratefully. 

(Mail to: josefkaufma *at* gmail *dot* com)



If you used this package to generate results for a publication, please cite 

`this preprint by Kaufmann and Held `_

(this

`bibtex file `_),



where some implementation details are described in the Supplementary Material. 



Short description

-----------------

Analytic continuation of Matsubara Green's functions is a difficult task,

for which there exists a large variety of methods and codes. 

This package does, for now, not contain any new method, but its concept

differs from most other codes: I do not provide compiled program that

is able to do many different tasks, but instead a small Python library

containing the necessary classes and functions. Based on this, the user

is encouraged to write their own scripts, fitting their needs.



Currently, the Pade approximation and the Maximum Entropy method

are implemented. 



Package structure

-----------------

* **ana_cont** contains the main code files.

* **gui** contains the code for the graphical user interface.

* **doc** contains some learning resources.

* **scripts** contains some simple examples how the library may be used; also the GUI executables are located there.



Requirements

------------

The code was checked to run with the following versions:

* python3-dev

* Python 3.7

* numpy 1.18.1

* scipy 1.4.1

* Cython 0.29.15 (only for Pade)

* matplotlib 3.1.3

* h5py 2.10.0

* PyQt5 (only for GUI)



It is likely that the code runs also with older package versions,

but I cannot guarantee for that.



Installation and usage

----------------------



Installation via pip

~~~~~~~~~~~~~~~~~~~~



The ana_cont library can be installed via pip:



* ``sudo apt install python3-dev``

* ``python3 -m pip install -U pyqt5 matplotlib wheel cython h5py scipy``

* ``pip install -i https://test.pypi.org/simple/ ana-cont``



This installs the ``ana_cont`` python library.

The GUI scripts are also installed and

can be called from the command line as ``maxent.py``, ``pade.py``, ``maxent_bosonic.py``.



Installation from source via git

~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~



I recommend the following steps:



``git clone https://github.com/josefkaufmann/ana_cont``



If you want to use Pade, you have to compile:

``python setup.py build_ext --inplace``



Now you can add the code directory to the python path in your script

and import the package:



``sys.path.insert(0, '/path/to/ana_cont')``



``import ana_cont.continuation as cont``



The graphical user interface scripts can be executed as

``/path/to/ana_cont/scripts/maxent.py``



Running tests after installation from source

~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~



``python3 -m unittest tests/ana_cont_tests.py -v``