PyDMFET
PyDMFET is an open-source software for performing subspace density matrix functional embedding theory (sDMFET) calculations using Gaussian type orbital bases (with or without periodic boundary conditions).
PyDMFET depends on PySCF, Wannier90, Numpy and Scipy.
Installation
At top directory,
$ pip install .Citing PyDMFET
The following paper should be cited in publications utilizing the PyDMFET package:
DOI: 10.1021/acs.jctc.8b00990