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NickWoods1/pcask1d

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pcask1d


License: MIT Documentation Status Build Status

pcask1d is a python package designed to compute the ground state energy and density of periodic system (external potential) in one-dimension using various approximations. pcask1d uses a plane-wave basis set.

Documentation is hosted on http://pcask1d.readthedocs.io. This documentation also includes relevant theory and various example calculations.


Install


pip install requirements.txt 
python setup.py install

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Periodic quantum chemistry in 1D with a plane-wave basis set

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