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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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correct linear and angular momenta at regular intervals #666

Closed brucefan1983 closed 2 months ago

brucefan1983 commented 3 months ago

Extend the existing correct_velocity keywrod to suuport groupwise correction, which is needed in some applications.