a small python script to calculate the madelung sum of an infinite lattice
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NaCl_POSCAR
README.md
madelung.py
sc_mad.py

README.md

pymadelung

a small python script to calculate the madelung sum of an infinite lattice

usage: python madelung.py --help #get a list of command line options

files:

madelung.py	The actual program. Requires the lattice vectors

sc_mad.py 	Demonstrates the parsing of a POSCAR atomic lattice
		description file and the generation of the lattice 
		vectors as input for the madelung routine