BBQ

A developing version of DMET

Installation

Change startup file, in which export PYTHONPATH and add pwd to it . e.g.

 cd .. && echo 'export PYTHONPATH='`pwd`':$PYTHONPATH' >> ~/.bashrc

Name		Name	Last commit message	Last commit date
Latest commit History 92 Commits
dmet_hyd.20130129		dmet_hyd.20130129
examples		examples
ir-wmme.20130129		ir-wmme.20130129
lattice_dmet.20121221		lattice_dmet.20121221
tests		tests
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md
__init__.py		__init__.py
basicForNormal.py		basicForNormal.py
block_iface.py		block_iface.py
diis.py		diis.py
fragments.py		fragments.py
geometry.py		geometry.py
ham.py		ham.py
helpers.py		helpers.py
inputs.py		inputs.py
main.py		main.py
normalDmet.py		normalDmet.py
results.py		results.py
settings.py		settings.py
vcor_fit.py		vcor_fit.py