https://github.com/lmmentel/pydmft

Python utilities for running density matrix functional theory (DMFT) quantum chemical calculations.
https://github.com/lmmentel/pydmft

chemistry density-matrix density-matrix-functionals physics quantum-chemistry

Last synced: 3 days ago
JSON representation

Python utilities for running density matrix functional theory (DMFT) quantum chemical calculations.

• Host: GitHub
• URL: https://github.com/lmmentel/pydmft
• Owner: lmmentel
• License: mit
• Created: 2021-08-16T19:00:22.000Z (over 3 years ago)
• Default Branch: main
• Last Pushed: 2021-08-16T19:15:13.000Z (over 3 years ago)
• Last Synced: 2024-11-30T18:16:30.975Z (2 months ago)
• Topics: chemistry, density-matrix, density-matrix-functionals, physics, quantum-chemistry
• Language: Python
• Homepage:
• Size: 98.6 KB
• Stars: 3
• Watchers: 3
• Forks: 1
• Open Issues: 0
• Metadata Files:
  • Readme: README.rst
  • License: LICENSE.rst

Awesome Lists containing this project

README

        
PyDMFT - Python utilities for running DMFT calculations

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

DMFT : Density Matrix Functional Theory

Installation

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

Clone the repo and install with ``pip``

.. code-block:: bash

   git clone https://github.com/lmmentel/pydmft.git

   pip install ./pydmft