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brucefan1983 / GPUMD

Graphics Processing Units Molecular Dynamics
https://gpumd.org/dev
GNU General Public License v3.0
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CASTEP----PYTHON #297

Closed Qinggao1996 closed 1 year ago

Qinggao1996 commented 2 years ago

Ask for a python script to count the configurations formed in CASTEP process

brucefan1983 commented 2 years ago

I guess you were asking for a shell script similar to vasp2xyz.sh?

brucefan1983 commented 2 years ago

Yanzhou will take care of this.

brucefan1983 commented 1 year ago

Done.