use extended XYZ for xyz.in, moive.xyz, restart.out, train.in, and test.in

brucefan1983 / GPUMD

Graphics Processing Units Molecular Dynamics

https://gpumd.org/dev

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use extended XYZ for xyz.in, moive.xyz, restart.out, train.in, and test.in #131

Closed brucefan1983 closed 2 years ago

brucefan1983 commented 2 years ago

This is good for visualization with OVITO.

brucefan1983 commented 2 years ago

movie.xyz has been changed to the extended XYZ format. However, I decide not to change the other files to this format. I don't like this format much.