https://github.com/kkirsche/python-madelungconstant

Use python to calculate the madelung constant
https://github.com/kkirsche/python-madelungconstant

Last synced: 4 months ago
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Use python to calculate the madelung constant

• Host: GitHub
• URL: https://github.com/kkirsche/python-madelungconstant
• Owner: kkirsche
• Created: 2013-01-28T00:55:37.000Z (over 12 years ago)
• Default Branch: master
• Last Pushed: 2013-01-29T00:25:53.000Z (over 12 years ago)
• Last Synced: 2025-01-17T01:12:40.392Z (6 months ago)
• Language: Python
• Size: 113 KB
• Stars: 3
• Watchers: 4
• Forks: 0
• Open Issues: 1
• Metadata Files:
  • Readme: README.md

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python-MadelungConstant

=======================

Use python to calculate the madelung constant for NaCl.

This program is an answer to exercise 2.8 (pg. 73) of Chapter 2, Python Programming for Physists, of [Computational Physics](http://www.amazon.com/Computational-Physics-Edition-Nicholas-Giordano/dp/0131469908/ref=sr_1_1?ie=UTF8&qid=1359335955&sr=8-1&keywords=computational+physics)

The prompt is:

Write a program to calculate and print the Madelung constant for sodium chloride.

Use as large a value of L as you can, while still having your program run in reasonable

time—say in a minute or less.

madelung.py is the fastest, but consumes a large amount of memory

madelung-v2-betterExplanation.py explains some of what is happening and why, but isn't as fast.

The last is a while loop version that is highly inefficient.