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PyDMET: a python implementation of density matrix embedding theory

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PyDMET: a python implementation of density matrix embedding theory

Copyright (C) 2014, 2015 Sebastian Wouters [email protected]

This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version.

This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.

You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.

Building and testing

PyDMET requires python, scipy, and libchemps2. The path to PyCheMPS2 can be adjusted in SolveCorrelated.py.

Start from start.py; LDOS2D.py; LDOS1D.py; LDDR2D.py and adjust these files to start using PyDMET.

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PyDMET: a python implementation of density matrix embedding theory

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