ECP-copa / CabanaMD

Molecular dynamics proxy application based on Cabana
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Enable user preallocation for Verlet neighbor lists #78

Closed streeve closed 4 years ago

streeve commented 4 years ago

Expose the option to preallocate maximum neighbors per atom in Cabana and fully support in the input file. Currently only for Verlet, but easy to add for ArborX as well once implemented.