Add an option to zero the linear and angular momenta regularly

brucefan1983 / GPUMD

Graphics Processing Units Molecular Dynamics

https://gpumd.org/dev

GNU General Public License v3.0

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Closed brucefan1983 closed 2 years ago

brucefan1983 commented 2 years ago

At least the correction of the angular momentum is important for simulations with 1D structures.

brucefan1983 commented 2 years ago

Done in this PR #116 , but the efficiency can be improved in the future.