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Collection of commonly used Green's functions and utilities

Project description

master Build status master Coverage master
develop Build status develop Coverage develop

Collection of commonly used Green’s functions and utilities. The main propose of this module is to have a tested and thus reliable basis to do numerics. It happened to me too often, that I just made a mistake copying the Green’s function and was then wondering what was wrong with my algorithm. The main use case of GfTools was DMFT and its real space generalization, in particular using CT-QMC algorithms.

Installation

The package is available on PyPi:

# pip install gftool

Alternatively, it can be installed via GitHub. You can install it using

$ pip install https://github.com/DerWeh/gftools/archive/VERSION.zip

where VERSION can be a release (e.g. 0.5.1) or a branch (e.g. develop). (As always, it is not advised to install it into your system Python, consider using pipenv, venv, conda, pyenv, or similar tools.) Of course you can also clone or fork the project.

Documentation

The documentation and API can be found here: documentation. There is now also documentation on ReadTheDocs: master doc, develop doc, latest doc

Currently the packages main content is

gftool
  • collection of non-interacting Green’s functions and spectral functions see the lattice submodule
  • utility functions like Matsubara frequencies and Fermi functions.
  • reliable calculation of particle numbers via Matsubara sums (Needs a refactor and more accurate extrapolation)
fourier
  • Fourier transforms from Matsubara frequencies to imaginary time and back Handling of high-frequencies moments is not yet included and has to be done by hand (especially import for transforms from Matsubara to imaginary time)
matrix
  • helper for Green’s functions in matrix form
pade
  • analytic continuation via the Padé algorithm

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