(c) 2017
Authors:
- Dhabih V. Chulhai chulhaid@uindy.edu
- Jason D. Goodpaster jgoodpas@umn.edu
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Prerequisites
- Python 3.5
- Numpy 1.8.0 or higher
- Scipy 0.10 or higher
- h5py 2.3.0 or higher
- PySCF 1.4 or higher
- input_reader 1.2.2 or higher
- Cython 0.23.4 or higher
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Compile modules
make -
To clean/delete compiled modules
make clean
Acknowledgment: This code is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences through the Nanoporous Materials Genome Center under award numbers DE-FG02-17ER16362 and DE-FG02-12ER16362.