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Implement CoMD algorithm #1

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moebiusband73 opened this issue Aug 19, 2020 · 0 comments
Open

Implement CoMD algorithm #1

moebiusband73 opened this issue Aug 19, 2020 · 0 comments
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enhancement New feature or request

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@moebiusband73
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CoMD (https://github.com/ECP-copa/CoMD) is a MD benchmark similar to miniMD. It is developed at LANL.
In contrast to miniMD CoMD uses a simpler cell based approach to determine the nearby atoms in the force calculation.

Task is to integrate the basic algorithm of CoMD into MD-Bench.
@moebiusband73 moebiusband73 added the enhancement New feature or request label Aug 19, 2020
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