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Alex Selimov 2024-02-17 21:53:47 -05:00
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README.md Normal file
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# CAC
This is the code generated as a culmination of my PhD efforts.

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read_data cu_block.restart
potential eamalloy Cu_mishin1.eam.alloy Cu
#potential eamtab
neighbor 2.0
dump out 100 Cu
thermo 10
#set_force all null null 0
min_style fire
minimize 1d-12 1d-12 100000