mirror of
https://github.com/NehZio/Crystal-MEC
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39 lines
1.3 KiB
Markdown
39 lines
1.3 KiB
Markdown
# CRYSTAL MET
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<a href="url"><img src="https://github.com/NehZio/Crystal-MET/blob/master/images/fig4.png" align="left" height="400" width="400" ></a>
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<a href="url"><img src="https://github.com/NehZio/Crystal-MET/blob/master/images/fig3.png" align="left" height="400" width="400" ></a>
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Crystal MET (Crystal Maker Effective Tool) is a python3 programs, developped during an internship at the [LCPQ](www.lcpq.ups-tlse.fr) that helps you building a system using only the informations taken from a CIF file.
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Use it with care, always check the output, it may work differently from what you expect.
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I'm not responsible of a missuse of the results given, neither am I of any collateral such as your computer bursting into flame or any physical incident that could result of an improper use of this tool.
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## Dependencies
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Crystal MET uses :
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* Scipy
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* Numpy
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## Use
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`python3 crystal_met.py INPUT_FILE`
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## Performances
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The calculation increases exponentially as you increase the number of atoms in the system you want.
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Here are the results of some tests I made :
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## Contact
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If you find any bug or have any question, please let me know :
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* Twitter : @leo_gaspard
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* Mail : leo.gaspard@outlook.fr
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