brucefan1983 / GPUMD

Graphics Processing Units Molecular Dynamics
https://gpumd.org/dev
GNU General Public License v3.0
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Add separated parameter for dump_exyz #629

Closed mushroomfire closed 4 months ago

mushroomfire commented 4 months ago

This PR adds a parameter in dump_exyz to generate separated frames to fix issue #605 . The documentation is also updated.

brucefan1983 commented 4 months ago

Great addition. Thanks!