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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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Add minimization or quenched molecular dynamics #30

Closed brucefan1983 closed 4 years ago

brucefan1983 commented 5 years ago

This will be useful for finding the equilibrium structure used for some static (zero-temperature) calculations.

brucefan1983 commented 4 years ago

This is resolved in pull request https://github.com/brucefan1983/GPUMD/pull/61