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

Python Tool Suite for Green's-function-based many-body calculations using Green Software Package.

Package contains two main modules:

  • mint (Mean-field INput generation Toolkit): generates input files for Green/WeakCoupling using PySCF, ASE and SPGLib
  • pesto (Post-processing Evaluation Software TOols): provides access to various post-processing tools such as analytical continuation, and Mulliken analysis.

Installation

  • To install the green-mbtools binary package simply execute:
pip install green-mbtools
  • To build from sources download the source code either from github or from PyPI and run:
python -m build

This will automatically build the Nevanlinna and Caratheodory extensions, which are written in C++.

Dependencies:

  1. Python packages: numpy, scipy, h5py, green-ac, pyscf, ase, spglib, irbasis, cvxpy, and baryrat.
  2. C++ libraries: Eigen, GMP, MPFR
  3. pytest for testing
  4. Maxent external C++ library needs to be built separately to run analytic continuation tasks using the maxent method.

Features

The mbtools package comes with two sub-packages: mint and pesto. The mint sub-package contains utilities for the following tasks:

  • Generate input for Green/WeakCoupling.
  • Compute molecular/natural orbitals.
  • Mulliken analyasis based on symmetrical atomic orbitals.

On the other hand, the pesto sub-package, formerly known as the mbanalysis package, caters to:

Contirbutions to the code

  • Most of the pesto source code was written by @cnyeh
  • Nevanlinna analytic continuation was implemented by @jianiOnly
  • Clean up and packaging of the code and extension modules, including Nevanlinna and Caratheodory, was performed by by @gauravharsha
  • ES analytic continuation implemented by @gauravharsha
  • Example for spaghetti diagrams for occupation numbers added by @pavel-po
  • C++ wrapper to GMP and MPFR float numbers and packaging @iskakoff
  • Green/WeakCoupling input generation @cnyeh and @iskakoff

Project links

Data verified by PyPI on Jul 17, 2026
Data provided by the project maintainers, verified at the time the release was uploaded to PyPI.

Key dates

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  • Released:
Stable release available (0.3.0)

Owner

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1 maintainer

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Avatar for gauravharsha from gravatar.com gauravharsha

Credits

Author: Gaurav Harsha

Maintainer: Gaurav Harsha

GitHub Statistics

Data verified by PyPI on Jul 17, 2026
The GitHub source repository was provided by the project maintainers and verified by PyPI at the time of upload. Stars, forks, and open issues/PRs are derived from that repository and have not been independently verified.

License

MIT License

Requires

Python >=3.8

Provides Extra

tests

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