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1.1 KiB
1.1 KiB
CRYSTAL MET
Crystal MET (Crystal Maker Effective Tool) is a python3 programs that helps you building a system using only the informations taken from a CIF file.
Use it with care, always check the output, it may work differently from what you expect.
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.
Dependencies
Crystal MET uses :
- Scipy
- Numpy
Use
python3 crystal_met.py INPUT_FILE
Performances
The calculation increases exponentially as you increase the number of atoms in the system you want. Here are the results of some tests I made :
